1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-piperidin-1-iumcarboxylate IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylate Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H16N2O2S/c17-14(18)10-5-7-16(8-6-10)9-13-15-11-3-1-2-4-12(11)19-13/h1-4,10H,5-9H2,(H,17,18)