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

Systemtic Name: ethyl (3S)-1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-2-22-16(21)13-4-3-7-19(11-13)8-5-14(20)18-15-12(10-17)6-9-23-15/h6,9,13H,2-5,7-8,11H2,1H3,(H,18,20)/p+1/t13-/m0/s1