[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCCC3)C

InChI

InChI=1S/C21H24N4O4/c1-14-7-8-16(12-15(14)2)23-21(28)24-18(26)13-29-20(27)17-6-5-9-22-19(17)25-10-3-4-11-25/h5-9,12H,3-4,10-11,13H2,1-2H3,(H2,23,24,26,28)/p+1