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

Systemtic Name: 4,5-dimethyl-2-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dimethyl-2-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dimethyl-2-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dimethyl-2-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dimethyl-2-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C18H27N4S+ MolecularWeight: 331.49878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=S)N1C)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H26N4S/c1-15-19-22(18(23)20(15)2)14-21-12-10-17(11-13-21)9-8-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3/p+1