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

Systemtic Name: 2-[4-(3-methoxyphenyl)carbonyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-(3-methoxybenzoyl)-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(3-methoxyphenyl)-oxomethyl]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[4-(3-methoxybenzoyl)-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-(2,3-diketo-4-m-anisoyl-5-pyridin-1-ium-3-yl-pyrrolidino)ethyl-dimethyl-ammonium Formula: C21H25N3O4+2 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(C(=O)C1=O)C(=O)C2=CC(=CC=C2)OC)C3=C[NH+]=CC=C3

Isomeric SMILES

C[NH+](C)CCN1C(C(C(=O)C1=O)C(=O)C2=CC(=CC=C2)OC)C3=C[NH+]=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-23(2)10-11-24-18(15-7-5-9-22-13-15)17(20(26)21(24)27)19(25)14-6-4-8-16(12-14)28-3/h4-9,12-13,17-18H,10-11H2,1-3H3/p+2