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

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4OS/c1-5-17-8-6-7-13-22(17)14-23-20(26)24(15(2)3)19(21-23)16-9-11-18(25-4)12-10-16/h9-12,15,17H,5-8,13-14H2,1-4H3/p+1/t17-/m0/s1