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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-isopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-isopropyl-1,2,4-triazole-3-thione Formula: C18H24N5S2+ MolecularWeight: 374.54666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)N1C=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H23N5S2/c1-13(2)22-11-19-23(18(22)24)12-21-9-7-14(8-10-21)17-20-15-5-3-4-6-16(15)25-17/h3-6,11,13-14H,7-10,12H2,1-2H3/p+1