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

Systemtic Name: methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methylphenyl)methyl]azanium Openeye Name: methyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-(p-tolylmethyl)ammonium CAS Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(4-methylphenyl)methyl]azanium Traditional Name: [2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-13-4-7-15(8-5-13)11-20(3)12-18(22)19-17-10-16(21(23)24)9-6-14(17)2/h4-10H,11-12H2,1-3H3,(H,19,22)/p+1