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

Systemtic Name: 3-[(5R)-4-[(4-methoxy-2-methyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-3-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(5R)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-2,3-dioxo-5-(3-pyridyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(5R)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2,3-dioxo-5-(3-pyridinyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(5R)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-2,3-diketo-5-(3-pyridyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-15-13-17(30-4)8-9-18(15)21(27)19-20(16-7-5-10-24-14-16)26(23(29)22(19)28)12-6-11-25(2)3/h5,7-10,13-14,20,27H,6,11-12H2,1-4H3/p+1/t20-/m1/s1