[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxycarbonylphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxycarbonylphenyl)methyl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[(3-methoxycarbonylphenyl)methyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(3-methoxycarbonylphenyl)methyl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(3-methoxycarbonylphenyl)methyl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-(3-carbomethoxybenzyl)-methyl-ammonium Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C19H21BrN2O3/c1-13-9-16(20)7-8-17(13)21-18(23)12-22(2)11-14-5-4-6-15(10-14)19(24)25-3/h4-10H,11-12H2,1-3H3,(H,21,23)/p+1