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

Systemtic Name: methyl 1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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