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

Systemtic Name: 4-methyl-5-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-phenyl-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-23-20(19-10-6-3-7-11-19)22-25(21(23)26)16-24-14-12-18(13-15-24)17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3/p+1