2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Formula: C20H26N5S2+ MolecularWeight: 400.58394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C5CC5

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C5CC5

InChI

InChI=1S/C20H25N5S2/c1-2-24-18(14-7-8-14)22-25(20(24)26)13-23-11-9-15(10-12-23)19-21-16-5-3-4-6-17(16)27-19/h3-6,14-15H,2,7-13H2,1H3/p+1