(Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide Openeye Name: (Z)-2-cyano-3-(3-methyl-2-thienyl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-(3-methyl-2-thiophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-propenamide IUPAC Name: (Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide Traditional Name: (Z)-2-cyano-3-(3-methyl-2-thienyl)-N-(3-morpholin-4-ium-4-ylpropyl)acrylamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(C#N)C(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=C(SC=C1)/C=C(/C#N)\C(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C16H21N3O2S/c1-13-3-10-22-15(13)11-14(12-17)16(20)18-4-2-5-19-6-8-21-9-7-19/h3,10-11H,2,4-9H2,1H3,(H,18,20)/p+1/b14-11-