(Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (Z)-2-cyano-3-(3-methyl-2-thienyl)-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-(3-methyl-2-thiophenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (Z)-2-cyano-3-(3-methyl-2-thienyl)-N-(2-piperidin-1-ium-1-ylethyl)acrylamide Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(C#N)C(=O)NCC[NH+]2CCCCC2

Isomeric SMILES

CC1=C(SC=C1)/C=C(/C#N)\C(=O)NCC[NH+]2CCCCC2

InChI

InChI=1S/C16H21N3OS/c1-13-5-10-21-15(13)11-14(12-17)16(20)18-6-9-19-7-3-2-4-8-19/h5,10-11H,2-4,6-9H2,1H3,(H,18,20)/p+1/b14-11-