(E)-2-cyano-3-(4-ethoxy-2-oxidanyl-phenyl)-N-quinolin-5-yl-prop-2-enamide; piperidin-1-ium; chloride

Systemtic Name: (E)-2-cyano-3-(4-ethoxy-2-oxidanyl-phenyl)-N-quinolin-5-yl-prop-2-enamide; piperidin-1-ium; chloride Openeye Name: (E)-2-cyano-3-(4-ethoxy-2-hydroxy-phenyl)-N-(5-quinolyl)prop-2-enamide; piperidin-1-ium; chloride CAS Name: (E)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-(5-quinolinyl)-2-propenamide; piperidin-1-ium; chloride IUPAC Name: (E)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide; piperidin-1-ium; chloride Traditional Name: (E)-2-cyano-3-(4-ethoxy-2-hydroxy-phenyl)-N-(5-quinolyl)acrylamide; piperidin-1-ium; chloride Formula: C26H29ClN4O3 MolecularWeight: 480.98646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC3=C2C=CC=N3)O.C1CC[NH2+]CC1.[Cl-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC3=C2C=CC=N3)O.C1CC[NH2+]CC1.[Cl-]

InChI

InChI=1S/C21H17N3O3.C5H11N.ClH/c1-2-27-16-9-8-14(20(25)12-16)11-15(13-22)21(26)24-19-7-3-6-18-17(19)5-4-10-23-18;1-2-4-6-5-3-1;/h3-12,25H,2H2,1H3,(H,24,26);6H,1-5H2;1H/b15-11+;;