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

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-26-19-9-7-18(8-10-19)20-22-21(27)25(23-20)15-24-13-11-17(12-14-24)16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,22,23,27)/p+1