5-chloranyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 5-chloranyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 5-chloro-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 5-chloro-3-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 5-chloro-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 5-chloro-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Formula: C14H18ClN2S2+ MolecularWeight: 313.88912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C3=C(C=CC(=C3)Cl)SC2=S

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CN2C3=C(C=CC(=C3)Cl)SC2=S

InChI

InChI=1S/C14H17ClN2S2/c1-10-3-2-6-16(8-10)9-17-12-7-11(15)4-5-13(12)19-14(17)18/h4-5,7,10H,2-3,6,8-9H2,1H3/p+1/t10-/m1/s1