5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-4-propan-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-(1-piperidin-1-iumylmethyl)-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H26N4OS/c1-14(2)22-17(15-7-9-16(23-3)10-8-15)19-21(18(22)24)13-20-11-5-4-6-12-20/h7-10,14H,4-6,11-13H2,1-3H3/p+1