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

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C19H24N5S2+ MolecularWeight: 386.55736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H23N5S2/c1-3-11-23-14(2)21-24(19(23)25)13-22-12-7-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h3-5,8,10,16H,1,6-7,9,11-13H2,2H3/p+1/t16-/m1/s1