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

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H30N4OS/c1-18-9-10-22(15-19(18)2)29-16-23-25-28(24(30)26(23)3)17-27-13-11-21(12-14-27)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3/p+1