dimethyl-(18-phenyloctadecyl)-[2-(trimethylazaniumyl)ethyl]azanium dichloride

Systemtic Name: dimethyl-(18-phenyloctadecyl)-[2-(trimethylazaniumyl)ethyl]azanium dichloride Openeye Name: dimethyl-(18-phenyloctadecyl)-[2-(trimethylammonio)ethyl]ammonium dichloride CAS Name: dimethyl-(18-phenyloctadecyl)-[2-(trimethylammonio)ethyl]ammonium dichloride IUPAC Name: dimethyl-(18-phenyloctadecyl)-[2-(trimethylazaniumyl)ethyl]azanium dichloride Traditional Name: dimethyl-(18-phenyloctadecyl)-[2-(trimethylammonio)ethyl]ammonium dichloride Formula: C31H60Cl2N2 MolecularWeight: 531.7275

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCCCCCCCCC1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

C[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCCCCCCCCC1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/C31H60N2.2ClH/c1-32(2,3)29-30-33(4,5)28-24-19-17-15-13-11-9-7-6-8-10-12-14-16-18-21-25-31-26-22-20-23-27-31;;/h20,22-23,26-27H,6-19,21,24-25,28-30H2,1-5H3;2*1H/q+2;;/p-2