dimethyl-(4-methyl-3-oxidanyl-phenyl)-(phenylmethyl)azanium; N-methylcarbamate; hydrochloride

Systemtic Name: dimethyl-(4-methyl-3-oxidanyl-phenyl)-(phenylmethyl)azanium; N-methylcarbamate; hydrochloride Openeye Name: benzyl-(3-hydroxy-4-methyl-phenyl)-dimethyl-ammonium; N-methylcarbamate; hydrochloride CAS Name: (3-hydroxy-4-methylphenyl)-dimethyl-(phenylmethyl)ammonium; N-methylcarbamate; hydrochloride IUPAC Name: benzyl-(3-hydroxy-4-methylphenyl)-dimethylazanium; N-methylcarbamate; hydrochloride Traditional Name: benzyl-(3-hydroxy-4-methyl-phenyl)-dimethyl-ammonium; N-methylcarbamate; hydrochloride Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](C)(C)CC2=CC=CC=C2)O.CNC(=O)[O-].Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](C)(C)CC2=CC=CC=C2)O.CNC(=O)[O-].Cl

InChI

InChI=1S/C16H19NO.C2H5NO2.ClH/c1-13-9-10-15(11-16(13)18)17(2,3)12-14-7-5-4-6-8-14;1-3-2(4)5;/h4-11H,12H2,1-3H3;3H,1H3,(H,4,5);1H