(4-dimethylaminophenyl)methyl-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [4-(dimethylamino)benzyl]-[(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-14(23(4)13-15-6-8-16(9-7-15)22(2)3)20(25)21-18-11-10-17(24(26)27)12-19(18)28-5/h6-12,14H,13H2,1-5H3,(H,21,25)/p+1/t14-/m1/s1