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

Systemtic Name: 3-[4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-2,3-diketo-5-pyridin-1-ium-3-yl-pyrrolidino]propyl-dimethyl-ammonium Formula: C23H29N3O4+2 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-15-13-16(8-9-18(15)30-4)21(27)19-20(17-7-5-10-24-14-17)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+2