2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C18H26N4OS/c1-4-15-7-5-6-12-21(15)13-22-18(24)20(2)17(19-22)14-8-10-16(23-3)11-9-14/h8-11,15H,4-7,12-13H2,1-3H3/p+1/t15-/m0/s1