2-[[(3R)-3-(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-[[(3R)-3-(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-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-(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-[[(3R)-3-(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-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C19H24N5S2+ MolecularWeight: 386.55736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H23N5S2/c1-3-10-23-14(2)21-24(19(23)25)13-22-11-6-7-15(12-22)18-20-16-8-4-5-9-17(16)26-18/h3-5,8-9,15H,1,6-7,10-13H2,2H3/p+1/t15-/m1/s1