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

Systemtic Name: 2-[4-(4-methoxy-3-methyl-phenyl)carbonyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-(4-methoxy-3-methyl-benzoyl)-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(4-methoxy-3-methylphenyl)-oxomethyl]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[4-(4-methoxy-3-methylbenzoyl)-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2,3-diketo-4-(4-methoxy-3-methyl-benzoyl)-5-pyridin-1-ium-3-yl-pyrrolidino]ethyl-dimethyl-ammonium Formula: C22H27N3O4+2 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-14-12-15(7-8-17(14)29-4)20(26)18-19(16-6-5-9-23-13-16)25(11-10-24(2)3)22(28)21(18)27/h5-9,12-13,18-19H,10-11H2,1-4H3/p+2