[2-(4-aminophenyl)-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium; methanolate; bromide

Systemtic Name: [2-(4-aminophenyl)-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium; methanolate; bromide Openeye Name: [2-(4-aminophenyl)-2-oxo-ethyl]-benzyl-ethyl-ammonium; methanolate; bromide CAS Name: [2-(4-aminophenyl)-2-oxoethyl]-ethyl-(phenylmethyl)ammonium; methanolate; bromide IUPAC Name: [2-(4-aminophenyl)-2-oxoethyl]-benzyl-ethylazanium; methanolate; bromide Traditional Name: [2-(4-aminophenyl)-2-keto-ethyl]-benzyl-ethyl-ammonium; methanolate; bromide Formula: C18H24BrN2O2- MolecularWeight: 380.29936

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)N.C[O-].[Br-]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)N.C[O-].[Br-]

InChI

InChI=1S/C17H20N2O.CH3O.BrH/c1-2-19(12-14-6-4-3-5-7-14)13-17(20)15-8-10-16(18)11-9-15;1-2;/h3-11H,2,12-13,18H2,1H3;1H3;1H/q;-1;