ethyl 1-[(R)-(1-ethyl-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl)-thiophen-2-yl-methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(R)-(1-ethyl-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl)-thiophen-2-yl-methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(R)-(1-ethyl-2-hydroxy-6-methyl-4-oxo-3-pyridyl)-(2-thienyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-(1-ethyl-2-hydroxy-6-methyl-4-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(R)-(1-ethyl-2-hydroxy-6-methyl-4-oxopyridin-3-yl)-thiophen-2-ylmethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-(1-ethyl-2-hydroxy-4-keto-6-methyl-3-pyridyl)-(2-thienyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)C(=C1O)C(C2=CC=CS2)[NH+]3CCC(CC3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=CC(=O)C(=C1O)[C@H](C2=CC=CS2)[NH+]3CCC(CC3)C(=O)OCC)C

InChI

InChI=1S/C21H28N2O4S/c1-4-23-14(3)13-16(24)18(20(23)25)19(17-7-6-12-28-17)22-10-8-15(9-11-22)21(26)27-5-2/h6-7,12-13,15,19,25H,4-5,8-11H2,1-3H3/p+1/t19-/m0/s1