dimethyl-(1-phenyldocosyl)-[3-(trimethylazaniumyl)propyl]azanium dichloride

Systemtic Name: dimethyl-(1-phenyldocosyl)-[3-(trimethylazaniumyl)propyl]azanium dichloride Openeye Name: dimethyl-(1-phenyldocosyl)-[3-(trimethylammonio)propyl]ammonium dichloride CAS Name: dimethyl-(1-phenyldocosyl)-[3-(trimethylammonio)propyl]ammonium dichloride IUPAC Name: dimethyl-(1-phenyldocosyl)-[3-(trimethylazaniumyl)propyl]azanium dichloride Traditional Name: dimethyl-(1-phenyldocosyl)-[3-(trimethylammonio)propyl]ammonium dichloride Formula: C36H70Cl2N2 MolecularWeight: 601.8604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70N2.2ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-32-36(35-30-26-25-27-31-35)38(5,6)34-29-33-37(2,3)4;;/h25-27,30-31,36H,7-24,28-29,32-34H2,1-6H3;2*1H/q+2;;/p-2