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

Systemtic Name: dimethyl-[3-[4-(4-methylphenyl)carbonyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]propyl]azanium Openeye Name: dimethyl-[3-[4-(4-methylbenzoyl)-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]propyl]ammonium CAS Name: dimethyl-[3-[4-[(4-methylphenyl)-oxomethyl]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[4-(4-methylbenzoyl)-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]propyl]azanium Traditional Name: 3-(2,3-diketo-4-p-toluoyl-5-pyridin-1-ium-3-yl-pyrrolidino)propyl-dimethyl-ammonium Formula: C22H27N3O3+2 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-15-7-9-16(10-8-15)20(26)18-19(17-6-4-11-23-14-17)25(22(28)21(18)27)13-5-12-24(2)3/h4,6-11,14,18-19H,5,12-13H2,1-3H3/p+2