3-[4-(3-methoxyphenyl)carbonyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[4-(3-methoxyphenyl)carbonyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(3-methoxybenzoyl)-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[(3-methoxyphenyl)-oxomethyl]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-(3-methoxybenzoyl)-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-(2,3-diketo-4-m-anisoyl-5-pyridin-1-ium-3-yl-pyrrolidino)propyl-dimethyl-ammonium Formula: C22H27N3O4+2 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(C(=O)C1=O)C(=O)C2=CC(=CC=C2)OC)C3=C[NH+]=CC=C3

Isomeric SMILES

C[NH+](C)CCCN1C(C(C(=O)C1=O)C(=O)C2=CC(=CC=C2)OC)C3=C[NH+]=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-24(2)11-6-12-25-19(16-8-5-10-23-14-16)18(21(27)22(25)28)20(26)15-7-4-9-17(13-15)29-3/h4-5,7-10,13-14,18-19H,6,11-12H2,1-3H3/p+2