potassium 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: potassium 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridine-3-carboxylate Openeye Name: potassium 2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]pyridine-3-carboxylate CAS Name: potassium 2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-pyridinecarboxylate IUPAC Name: potassium 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridine-3-carboxylate Traditional Name: potassium 2-[4-(1,3-benzothiazol-2-yl)piperidino]nicotinate Formula: C18H16KN3O2S MolecularWeight: 377.50184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=CC=N4)C(=O)[O-].[K+]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=CC=N4)C(=O)[O-].[K+]

InChI

InChI=1S/C18H17N3O2S.K/c22-18(23)13-4-3-9-19-16(13)21-10-7-12(8-11-21)17-20-14-5-1-2-6-15(14)24-17;/h1-6,9,12H,7-8,10-11H2,(H,22,23);/q;+1/p-1