(4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]ammonium Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-5-23(14-16-10-12-17(13-11-16)22(3)4)15(2)20(25)21-18-8-6-7-9-19(18)24(26)27/h6-13,15H,5,14H2,1-4H3,(H,21,25)/p+1/t15-/m1/s1