4,5-dicyclopropyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-dicyclopropyl-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]-4,5-dicyclopropyl-1,2,4-triazole-3-thione CAS Name: 4,5-dicyclopropyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Formula: C21H29N4S+ MolecularWeight: 369.54676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C21H28N4S/c26-21-24(22-20(18-6-7-18)25(21)19-8-9-19)15-23-12-10-17(11-13-23)14-16-4-2-1-3-5-16/h1-5,17-19H,6-15H2/p+1