2-[(5S)-4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-4-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5S)-4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-4-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5S)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-2,3-dioxo-5-(4-pyridyl)pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(5S)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-4-yl-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(5S)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-2,3-diketo-5-(4-pyridyl)pyrrolidino]ethyl-dimethyl-ammonium Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC[NH+](C)C)C3=CC=NC=C3)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2[C@@H](N(C(=O)C2=O)CC[NH+](C)C)C3=CC=NC=C3)O)OC

InChI

InChI=1S/C22H25N3O4/c1-14-13-16(5-6-17(14)29-4)20(26)18-19(15-7-9-23-10-8-15)25(12-11-24(2)3)22(28)21(18)27/h5-10,13,19,26H,11-12H2,1-4H3/p+1/t19-/m0/s1