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

Systemtic Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-pentyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Traditional Name: 4-amyl-2-[[(3R)-3-(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+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCN1C=NN(C1=S)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N5S2/c1-2-3-6-12-24-14-21-25(20(24)26)15-23-11-7-8-16(13-23)19-22-17-9-4-5-10-18(17)27-19/h4-5,9-10,14,16H,2-3,6-8,11-13,15H2,1H3/p+1/t16-/m1/s1