methyl 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C19H25N3O3S/c1-25-19(24)13-6-9-22(10-7-13)11-8-17(23)21-18-15(12-20)14-4-2-3-5-16(14)26-18/h13H,2-11H2,1H3,(H,21,23)/p+1