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

Systemtic Name: [(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium Openeye Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]-(3-oxo-3-pyrrolidin-1-yl-propyl)ammonium CAS Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[3-oxo-3-(1-pyrrolidinyl)propyl]ammonium IUPAC Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(3-oxo-3-pyrrolidin-1-ylpropyl)azanium Traditional Name: [(1R)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-(3-keto-3-pyrrolidino-propyl)ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-17-9-11-19(12-10-17)24-22(27)21(18-7-3-2-4-8-18)23-14-13-20(26)25-15-5-6-16-25/h2-4,7-12,21,23H,5-6,13-16H2,1H3,(H,24,27)/p+1/t21-/m1/s1