[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(2-methoxy-5-nitro-anilino)-3-oxo-propyl]-methyl-ammonium CAS Name: [3-(2-methoxy-5-nitroanilino)-3-oxopropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]-methylazanium Traditional Name: benzyl-[3-keto-3-(2-methoxy-5-nitro-anilino)propyl]-methyl-ammonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)CC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-20(13-14-6-4-3-5-7-14)11-10-18(22)19-16-12-15(21(23)24)8-9-17(16)25-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)/p+1