1-chloranyl-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-2-ol perchlorate

Systemtic Name: 1-chloranyl-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-2-ol perchlorate Openeye Name: 1-chloro-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-2-ol perchlorate CAS Name: 1-chloro-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-propanol perchlorate IUPAC Name: 1-chloro-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-2-ol perchlorate Traditional Name: 1-chloro-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-2-ol perchlorate Formula: C11H13Cl2NO5S MolecularWeight: 342.19562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC(CCl)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC(CCl)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C11H13ClNOS.ClHO4/c1-8-13(7-9(14)6-12)10-4-2-3-5-11(10)15-8;2-1(3,4)5/h2-5,9,14H,6-7H2,1H3;(H,2,3,4,5)/q+1;/p-1