(Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-piperidin-1-ium-1-ylethyl)acrylamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)NCC[NH+]2CCCCC2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C(/C#N)\C(=O)NCC[NH+]2CCCCC2

InChI

InChI=1S/C21H30N4O/c1-3-25(4-2)20-10-8-18(9-11-20)16-19(17-22)21(26)23-12-15-24-13-6-5-7-14-24/h8-11,16H,3-7,12-15H2,1-2H3,(H,23,26)/p+1/b19-16-