[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-morpholinopyridin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-morpholinopyridin-1-ium-3-carboxylic acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C23H28N4O4/c1-17-15-18(6-7-20(17)26-9-2-3-10-26)25-21(28)16-31-23(29)19-5-4-8-24-22(19)27-11-13-30-14-12-27/h4-8,15H,2-3,9-14,16H2,1H3,(H,25,28)/p+1