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

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C19H28N4O2S/c1-4-15-7-5-6-12-22(15)14-23-19(26)21(2)18(20-23)13-25-17-10-8-16(24-3)9-11-17/h8-11,15H,4-7,12-14H2,1-3H3/p+1/t15-/m0/s1