methyl-[2-(4-methylphenyl)ethyl]-[2-(3-nitro-4-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-(4-methylphenyl)ethyl]-[2-(3-nitro-4-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-benzyloxy-3-nitro-phenyl)-2-oxo-ethyl]-methyl-[2-(p-tolyl)ethyl]ammonium CAS Name: methyl-[2-(4-methylphenyl)ethyl]-[2-(3-nitro-4-phenylmethoxyphenyl)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-(4-methylphenyl)ethyl]-[2-(3-nitro-4-phenylmethoxyphenyl)-2-oxoethyl]azanium Traditional Name: [2-(4-benzoxy-3-nitro-phenyl)-2-keto-ethyl]-benzyl-methyl-[2-(p-tolyl)ethyl]ammonium Formula: C32H33N2O4+ MolecularWeight: 509.61542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC[N+](C)(CC2=CC=CC=C2)CC(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC[N+](C)(CC2=CC=CC=C2)CC(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H33N2O4/c1-25-13-15-26(16-14-25)19-20-34(2,22-27-9-5-3-6-10-27)23-31(35)29-17-18-32(30(21-29)33(36)37)38-24-28-11-7-4-8-12-28/h3-18,21H,19-20,22-24H2,1-2H3/q+1