3-(2-oxidanyl-3-pyridin-1-ium-1-yl-propyl)-1,3-benzothiazol-2-one chloride

Systemtic Name: 3-(2-oxidanyl-3-pyridin-1-ium-1-yl-propyl)-1,3-benzothiazol-2-one chloride Openeye Name: 3-(2-hydroxy-3-pyridin-1-ium-1-yl-propyl)-1,3-benzothiazol-2-one chloride CAS Name: 3-[2-hydroxy-3-(1-pyridin-1-iumyl)propyl]-1,3-benzothiazol-2-one chloride IUPAC Name: 3-(2-hydroxy-3-pyridin-1-ium-1-ylpropyl)-1,3-benzothiazol-2-one chloride Traditional Name: 3-(2-hydroxy-3-pyridin-1-ium-1-yl-propyl)-1,3-benzothiazol-2-one chloride Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(CN2C3=CC=CC=C3SC2=O)O.[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(CN2C3=CC=CC=C3SC2=O)O.[Cl-]

InChI

InChI=1S/C15H15N2O2S.ClH/c18-12(10-16-8-4-1-5-9-16)11-17-13-6-2-3-7-14(13)20-15(17)19;/h1-9,12,18H,10-11H2;1H/q+1;/p-1