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

Systemtic Name: 3-[4-[(4-methoxy-2-methyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-1-ium-4-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-2,3-dioxo-5-pyridin-1-ium-4-yl-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2,3-dioxo-5-(4-pyridin-1-iumyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-1-ium-4-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-2,3-diketo-5-pyridin-1-ium-4-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)OC)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=[NH+]C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-15-14-17(30-4)6-7-18(15)21(27)19-20(16-8-10-24-11-9-16)26(23(29)22(19)28)13-5-12-25(2)3/h6-11,14,20,27H,5,12-13H2,1-4H3/p+2