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

Systemtic Name: 4-ethyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4OS/c1-4-16-8-6-7-13-21(16)14-23-19(25)22(5-2)18(20-23)15-9-11-17(24-3)12-10-15/h9-12,16H,4-8,13-14H2,1-3H3/p+1/t16-/m0/s1