bis(azanyl)methylidene-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]azanium dichloride

Systemtic Name: bis(azanyl)methylidene-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]azanium dichloride Openeye Name: diaminomethylene-[4-[4-(1-hexadecylheptadecyl)pyridin-1-ium-1-yl]butyl]ammonium dichloride CAS Name: diaminomethylidene-[4-(4-tritriacontan-17-yl-1-pyridin-1-iumyl)butyl]ammonium dichloride IUPAC Name: diaminomethylidene-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]azanium dichloride Traditional Name: 4-[4-(1-cetylheptadecyl)pyridin-1-ium-1-yl]butyl-(diaminomethylene)ammonium dichloride Formula: C43H84Cl2N4 MolecularWeight: 728.05986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[NH+]=C(N)N.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[NH+]=C(N)N.[Cl-].[Cl-]

InChI

InChI=1S/C43H83N4.2ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-41(42-35-39-47(40-36-42)38-32-31-37-46-43(44)45)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h35-36,39-41H,3-34,37-38H2,1-2H3,(H4,44,45,46);2*1H/q+1;;/p-1