[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-13-4-6-14(7-5-13)11-20(2)12-18(22)19-16-10-15(21(23)24)8-9-17(16)25-3/h4-10H,11-12H2,1-3H3,(H,19,22)/p+1