3-[1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]benzoate

Systemtic Name: 3-[1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]benzoate Openeye Name: 3-[1-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]benzoate CAS Name: 3-[1-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]-4-triazolyl]benzoate IUPAC Name: 3-[1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]benzoate Traditional Name: 3-[1-[1-(2-thenyl)piperidin-1-ium-4-yl]triazol-4-yl]benzoate Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C3=CC(=CC=C3)C(=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C3=CC(=CC=C3)C(=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C19H20N4O2S/c24-19(25)15-4-1-3-14(11-15)18-13-23(21-20-18)16-6-8-22(9-7-16)12-17-5-2-10-26-17/h1-5,10-11,13,16H,6-9,12H2,(H,24,25)