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

Systemtic Name: 3-[1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]benzoate Openeye Name: 3-[1-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]benzoate CAS Name: 3-[1-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]-4-triazolyl]benzoate IUPAC Name: 3-[1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]benzoate Traditional Name: 3-[1-[1-(3-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=CSC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C3=CC(=CC=C3)C(=O)[O-])CC4=CSC=C4

InChI

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