5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4)C

InChI

InChI=1S/C23H28N4OS/c1-18-11-12-21(15-19(18)2)28-16-22-24-26(17-25-13-7-4-8-14-25)23(29)27(22)20-9-5-3-6-10-20/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3/p+1