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

Systemtic Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-cyclohexyl-5-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-cyclohexyl-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-cyclohexyl-5-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-cyclohexyl-5-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-cyclohexyl-5-methyl-1,2,4-triazole-3-thione Formula: C22H30N5S2+ MolecularWeight: 428.6371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CCCCC2)C[NH+]3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=S)N1C2CCCCC2)C[NH+]3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H29N5S2/c1-16-24-26(22(28)27(16)18-9-3-2-4-10-18)15-25-13-7-8-17(14-25)21-23-19-11-5-6-12-20(19)29-21/h5-6,11-12,17-18H,2-4,7-10,13-15H2,1H3/p+1/t17-/m1/s1