(1-methylpiperidin-1-ium-4-yl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-3-pyridinecarboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)nicotinic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O2S/c1-22-11-8-13(9-12-22)24-19(23)14-5-4-10-20-17(14)18-21-15-6-2-3-7-16(15)25-18/h2-7,10,13H,8-9,11-12H2,1H3/p+1