[4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(2-hydroxyethyl)azanium

Systemtic Name: [4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(2-hydroxyethyl)azanium Openeye Name: [4-[2-(4-bromoanilino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-(2-hydroxyethyl)ammonium CAS Name: [4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(2-hydroxyethyl)azanium Traditional Name: [4-[2-(4-bromoanilino)-2-keto-ethoxy]-3-methoxy-benzyl]-(2-hydroxyethyl)ammonium Formula: C18H22BrN2O4+ MolecularWeight: 410.28228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCO)OCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCO)OCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN2O4/c1-24-17-10-13(11-20-8-9-22)2-7-16(17)25-12-18(23)21-15-5-3-14(19)4-6-15/h2-7,10,20,22H,8-9,11-12H2,1H3,(H,21,23)/p+1