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

Systemtic Name: ethyl (3R)-1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C15H19N3O3S/c1-2-21-15(20)12-4-3-6-18(9-12)10-13(19)17-14-11(8-16)5-7-22-14/h5,7,12H,2-4,6,9-10H2,1H3,(H,17,19)/p+1/t12-/m1/s1