2-[(2S)-3-[(4-chlorophenyl)-oxidanyl-methylidene]-2-(4-methylphenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-3-[(4-chlorophenyl)-oxidanyl-methylidene]-2-(4-methylphenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5S)-4-[(4-chlorophenyl)-hydroxy-methylene]-2,3-dioxo-5-(p-tolyl)pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-methylphenyl)-4,5-dioxo-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-[(4-chlorophenyl)-hydroxy-methylene]-2,3-diketo-5-(p-tolyl)pyrrolidino]ethyl-dimethyl-ammonium Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CC[NH+](C)C

InChI

InChI=1S/C22H23ClN2O3/c1-14-4-6-15(7-5-14)19-18(20(26)16-8-10-17(23)11-9-16)21(27)22(28)25(19)13-12-24(2)3/h4-11,19,26H,12-13H2,1-3H3/p+1/t19-/m0/s1