4-(4-methoxyphenyl)-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-methoxyphenyl)-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-methoxyphenyl)-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methoxyphenyl)-3-[(1R)-1-(1-piperidin-1-iumyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methoxyphenyl)-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-methoxyphenyl)-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=S)N1C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C1=NNC(=S)N1C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C16H22N4OS/c1-12(19-10-4-3-5-11-19)15-17-18-16(22)20(15)13-6-8-14(21-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,22)/p+1/t12-/m1/s1