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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-(4-carbamoylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-(4-carbamoylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C18H20BrN3O3/c1-22(10-13-9-14(19)5-8-16(13)25-2)11-17(23)21-15-6-3-12(4-7-15)18(20)24/h3-9H,10-11H2,1-2H3,(H2,20,24)(H,21,23)/p+1