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

Systemtic Name: 5-(3-methoxyphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(3-methoxyphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(3-methoxyphenyl)-4-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methoxyphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(3-methoxyphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

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