1-(4-methoxyphenyl)-4-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-(4-methoxyphenyl)-4-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione CAS Name: 1-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-(4-methoxyphenyl)-5-tetrazolethione IUPAC Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione Traditional Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione Formula: C14H20N5O2S+ MolecularWeight: 322.4059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCCC(C3)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C14H19N5O2S/c1-21-13-6-4-11(5-7-13)19-14(22)18(15-16-19)10-17-8-2-3-12(20)9-17/h4-7,12,20H,2-3,8-10H2,1H3/p+1/t12-/m1/s1