[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium

Systemtic Name: [(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium Openeye Name: [(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]-(3-oxo-3-pyrrolidin-1-yl-propyl)ammonium CAS Name: [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]-[3-oxo-3-(1-pyrrolidinyl)propyl]ammonium IUPAC Name: [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]-(3-oxo-3-pyrrolidin-1-ylpropyl)azanium Traditional Name: [(1R)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]-(3-keto-3-pyrrolidino-propyl)ammonium Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CCC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH2+]CCC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-16-9-10-18(19(15-16)26(29)30)24-22(28)21(17-7-3-2-4-8-17)23-12-11-20(27)25-13-5-6-14-25/h2-4,7-10,15,21,23H,5-6,11-14H2,1H3,(H,24,28)/p+1/t21-/m1/s1