4-cyclopropyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione Formula: C18H25N4S+ MolecularWeight: 329.4829

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN(C2=S)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1N2C=NN(C2=S)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H24N4S/c23-18-21(17-6-7-17)13-19-22(18)14-20-10-8-16(9-11-20)12-15-4-2-1-3-5-15/h1-5,13,16-17H,6-12,14H2/p+1