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

Systemtic Name: ethyl 1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C=CS2)C#N

InChI

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