dodecyl-dimethyl-phenacyl-azanium; methane; bromide

Systemtic Name: dodecyl-dimethyl-phenacyl-azanium; methane; bromide Openeye Name: dodecyl-dimethyl-phenacyl-ammonium; methane; bromide CAS Name: dodecyl-dimethyl-phenacylammonium; methane; bromide IUPAC Name: dodecyl-dimethyl-phenacylazanium; methane; bromide Traditional Name: lauryl-dimethyl-phenacyl-ammonium; methane; bromide Formula: C23H42BrNO MolecularWeight: 428.48968

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Descriptors Computed from Structure

Canonical SMILES:

C.CCCCCCCCCCCC[N+](C)(C)CC(=O)C1=CC=CC=C1.[Br-]

Isomeric SMILES

C.CCCCCCCCCCCC[N+](C)(C)CC(=O)C1=CC=CC=C1.[Br-]

InChI

InChI=1S/C22H38NO.CH4.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-22(24)21-17-14-13-15-18-21;;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H4;1H/q+1;;/p-1