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

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H26N4O4/c27-20(24-17-5-7-18(8-6-17)25-12-14-29-15-13-25)16-30-22(28)19-4-3-9-23-21(19)26-10-1-2-11-26/h3-9H,1-2,10-16H2,(H,24,27)/p+1