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

Systemtic Name: (4-dimethylaminophenyl)methyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: [4-(dimethylamino)benzyl]-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC=C(C=C2)N(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC=C(C=C2)N(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4/c1-14-10-18(24(26)27)19(28-5)11-17(14)21-20(25)13-23(4)12-15-6-8-16(9-7-15)22(2)3/h6-11H,12-13H2,1-5H3,(H,21,25)/p+1