butyl-hexyl-phenyl-(phenylmethyl)azanium; dibutyl-phenyl-(phenylmethyl)azanium; dichloride

Systemtic Name: butyl-hexyl-phenyl-(phenylmethyl)azanium; dibutyl-phenyl-(phenylmethyl)azanium; dichloride Openeye Name: benzyl-butyl-hexyl-phenyl-ammonium; benzyl-dibutyl-phenyl-ammonium; dichloride CAS Name: butyl-hexyl-phenyl-(phenylmethyl)ammonium; dibutyl-phenyl-(phenylmethyl)ammonium; dichloride IUPAC Name: benzyl-butyl-hexyl-phenylazanium; benzyl-dibutyl-phenylazanium; dichloride Traditional Name: benzyl-butyl-hexyl-phenyl-ammonium; benzyl-dibutyl-phenyl-ammonium; dichloride Formula: C44H64Cl2N2 MolecularWeight: 691.89836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCC)(CC1=CC=CC=C1)C2=CC=CC=C2.CCCC[N+](CCCC)(CC1=CC=CC=C1)C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCCCCC[N+](CCCC)(CC1=CC=CC=C1)C2=CC=CC=C2.CCCC[N+](CCCC)(CC1=CC=CC=C1)C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C23H34N.C21H30N.2ClH/c1-3-5-7-14-20-24(19-6-4-2,23-17-12-9-13-18-23)21-22-15-10-8-11-16-22;1-3-5-17-22(18-6-4-2,21-15-11-8-12-16-21)19-20-13-9-7-10-14-20;;/h8-13,15-18H,3-7,14,19-21H2,1-2H3;7-16H,3-6,17-19H2,1-2H3;2*1H/q2*+1;;/p-2