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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[2-(4-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-(4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-(4-nitroanilino)-2-oxoethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-(4-nitroanilino)ethyl]-methyl-ammonium Formula: C17H19BrN3O4+ MolecularWeight: 409.25446

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O4/c1-20(10-12-9-13(18)3-8-16(12)25-2)11-17(22)19-14-4-6-15(7-5-14)21(23)24/h3-9H,10-11H2,1-2H3,(H,19,22)/p+1