(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H27N5O2/c1-16-11-19(17(2)28(16)21-4-5-21)12-20(13-24)23(29)26-15-18-3-6-22(25-14-18)27-7-9-30-10-8-27/h3,6,11-12,14,21H,4-5,7-10,15H2,1-2H3,(H,26,29)/p+1/b20-12+