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Substance Name: Tricyclo(3.3.1.1(3,7))decan-1-aminium, N,N'-bis((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid, (1:2)
RN: 70623-73-3
InChIKey: HKAFZYSHPHEBKV-UHFFFAOYSA-L

Molecular Formula

  • C32-H54-N2-O4.2C7-H7-O3-S

Molecular Weight

  • 873.179
 
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Names and Synonyms

  • Tricyclo(3.3.1.1(3,7))decan-1-aminium, N,N'-bis((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid, (1:2)

Registry Numbers

CAS Registry Number

  • 70623-73-3

System Generated Number

  • 0070623733

Molecular Formulas

Molecular Formula

  • C32-H54-N2-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C32-H54-N2-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C32H54N2O4.2C7H8O3S/c1-33(2,31-17-23-11-24(18-31)13-25(12-23)19-31)7-9-37-29(35)5-6-30(36)38-10-8-34(3,4)32-20-26-14-27(21-32)16-28(15-26)22-32;2*1-6-2-4-7(5-3-6)11(8,9)10/h23-28H,5-22H2,1-4H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2

InChIKey

HKAFZYSHPHEBKV-UHFFFAOYSA-L

Smiles

c1cc(C)ccc1S([O-])(=O)=O.c1cc(ccc1S([O-])(=O)=O)C.C1C2(CC3CC(CC1C3)C2)[N+](CCOC(CCC(OCC[N+](C)(C)C12CC3CC(CC(C3)C1)C2)=O)=O)(C)C