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

Systemtic Name: dimethyl-(1-phenylundecyl)-[3-(trimethylazaniumyl)propyl]azanium dichloride Openeye Name: dimethyl-(1-phenylundecyl)-[3-(trimethylammonio)propyl]ammonium dichloride CAS Name: dimethyl-(1-phenylundecyl)-[3-(trimethylammonio)propyl]ammonium dichloride IUPAC Name: dimethyl-(1-phenylundecyl)-[3-(trimethylazaniumyl)propyl]azanium dichloride Traditional Name: dimethyl-(1-phenylundecyl)-[3-(trimethylammonio)propyl]ammonium dichloride Formula: C25H48Cl2N2 MolecularWeight: 447.56802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48N2.2ClH/c1-7-8-9-10-11-12-13-17-21-25(24-19-15-14-16-20-24)27(5,6)23-18-22-26(2,3)4;;/h14-16,19-20,25H,7-13,17-18,21-23H2,1-6H3;2*1H/q+2;;/p-2