(E)-2-cyano-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenyl-prop-2-enamide Openeye Name: (E)-2-cyano-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenyl-prop-2-enamide CAS Name: (E)-2-cyano-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-phenyl-2-propenamide IUPAC Name: (E)-2-cyano-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenylprop-2-enamide Traditional Name: (E)-2-cyano-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenyl-acrylamide Formula: C17H22N3O+ MolecularWeight: 284.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C(=CC2=CC=CC=C2)C#N

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)/C(=C/C2=CC=CC=C2)/C#N

InChI

InChI=1S/C17H21N3O/c1-19-10-8-16(9-11-19)20(2)17(21)15(13-18)12-14-6-4-3-5-7-14/h3-7,12,16H,8-11H2,1-2H3/p+1/b15-12+