ethyl 1-cyclopropyl-2,5-dimethyl-4-[[(6-morpholin-4-ylpyridin-1-ium-3-yl)carbonylamino]methyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-2,5-dimethyl-4-[[(6-morpholin-4-ylpyridin-1-ium-3-yl)carbonylamino]methyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-2,5-dimethyl-4-[[(6-morpholinopyridin-1-ium-3-carbonyl)amino]methyl]pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-4-[[[[6-(4-morpholinyl)-3-pyridin-1-iumyl]-oxomethyl]amino]methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-2,5-dimethyl-4-[[(6-morpholin-4-ylpyridin-1-ium-3-carbonyl)amino]methyl]pyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-4-[[(6-morpholinopyridin-1-ium-3-carbonyl)amino]methyl]pyrrole-3-carboxylic acid ethyl ester Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1CNC(=O)C2=C[NH+]=C(C=C2)N3CCOCC3)C)C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1CNC(=O)C2=C[NH+]=C(C=C2)N3CCOCC3)C)C4CC4)C

InChI

InChI=1S/C23H30N4O4/c1-4-31-23(29)21-16(3)27(18-6-7-18)15(2)19(21)14-25-22(28)17-5-8-20(24-13-17)26-9-11-30-12-10-26/h5,8,13,18H,4,6-7,9-12,14H2,1-3H3,(H,25,28)/p+1