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

Systemtic Name: diethyl-[2-[4-(4-methoxy-2-methyl-phenyl)carbonyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[4-(4-methoxy-2-methyl-benzoyl)-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[4-[(4-methoxy-2-methylphenyl)-oxomethyl]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]ethyl]ammonium IUPAC Name: diethyl-[2-[4-(4-methoxy-2-methylbenzoyl)-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]ethyl]azanium Traditional Name: 2-[2,3-diketo-4-(4-methoxy-2-methyl-benzoyl)-5-pyridin-1-ium-3-yl-pyrrolidino]ethyl-diethyl-ammonium Formula: C24H31N3O4+2 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-5-26(6-2)12-13-27-21(17-8-7-11-25-15-17)20(23(29)24(27)30)22(28)19-10-9-18(31-4)14-16(19)3/h7-11,14-15,20-21H,5-6,12-13H2,1-4H3/p+2