dimethyl-(phenylmethyl)-tetradecyl-azanium; 1-dodecylpyridin-1-ium; dichloride

Systemtic Name: dimethyl-(phenylmethyl)-tetradecyl-azanium; 1-dodecylpyridin-1-ium; dichloride Openeye Name: benzyl-dimethyl-tetradecyl-ammonium; 1-dodecylpyridin-1-ium; dichloride CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium; 1-dodecylpyridin-1-ium; dichloride IUPAC Name: benzyl-dimethyl-tetradecylazanium; 1-dodecylpyridin-1-ium; dichloride Traditional Name: benzyl-dimethyl-myristyl-ammonium; 1-laurylpyridin-1-ium; dichloride Formula: C40H72Cl2N2 MolecularWeight: 651.91908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/C23H42N.C17H30N.2ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;11,13-14,16-17H,2-10,12,15H2,1H3;2*1H/q2*+1;;/p-2