methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C14H18N3O3S+ MolecularWeight: 308.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C14H17N3O3S/c1-20-14(19)10-2-5-17(6-3-10)9-12(18)16-13-11(8-15)4-7-21-13/h4,7,10H,2-3,5-6,9H2,1H3,(H,16,18)/p+1