ethyl (3S)-1-[(3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-carbamoyl-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-carbamoyl-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=CC(=C(C2=S)C(=O)N)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=CC(=C(C2=S)C(=O)N)C)C

InChI

InChI=1S/C17H25N3O3S/c1-4-23-17(22)13-6-5-7-19(9-13)10-20-12(3)8-11(2)14(15(18)21)16(20)24/h8,13H,4-7,9-10H2,1-3H3,(H2,18,21)/p+1/t13-/m0/s1