[(1S)-1-(4-dimethylaminophenyl)-2-[(2-methyl-3-nitro-phenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(2-methyl-3-nitro-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(2-methyl-3-nitro-benzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-dimethylaminophenyl)-2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(2-methyl-3-nitrobenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(2-methyl-3-nitro-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-14-17(7-6-8-18(14)24(26)27)20(25)21-13-19(23(4)5)15-9-11-16(12-10-15)22(2)3/h6-12,19H,13H2,1-5H3,(H,21,25)/p+1/t19-/m1/s1