[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H22BrN3O3/c1-13(24)21-16-5-7-17(8-6-16)22-19(25)12-23(2)11-14-10-15(20)4-9-18(14)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)/p+1