1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrazole-5-thiolate

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrazole-5-thiolate Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)tetrazole-5-thiolate CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-tetrazolethiolate IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)tetrazole-5-thiolate Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)tetrazole-5-thiolate Formula: C13H17N5S MolecularWeight: 275.37258

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=NN=N2)[S-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N2C(=NN=N2)[S-])CC3=CC=CC=C3

InChI

InChI=1S/C13H17N5S/c19-13-14-15-16-18(13)12-6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,16,19)