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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-pentyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Traditional Name: 4-amyl-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H28N5S2+ MolecularWeight: 402.59982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCN1C=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N5S2/c1-2-3-6-11-24-14-21-25(20(24)26)15-23-12-9-16(10-13-23)19-22-17-7-4-5-8-18(17)27-19/h4-5,7-8,14,16H,2-3,6,9-13,15H2,1H3/p+1