ethyl 1-(1,3-benzothiazol-2-yl)-5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)C[NH+]4CCCC(C4)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)C[NH+]4CCC[C@@H](C4)O

InChI

InChI=1S/C19H22N4O3S/c1-2-26-18(25)14-10-20-23(16(14)12-22-9-5-6-13(24)11-22)19-21-15-7-3-4-8-17(15)27-19/h3-4,7-8,10,13,24H,2,5-6,9,11-12H2,1H3/p+1/t13-/m0/s1