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

Systemtic Name: 3-(2-oxidanyl-3-pyridin-1-ium-1-yl-propyl)-1,3-benzothiazol-2-one Openeye Name: 3-(2-hydroxy-3-pyridin-1-ium-1-yl-propyl)-1,3-benzothiazol-2-one CAS Name: 3-[2-hydroxy-3-(1-pyridin-1-iumyl)propyl]-1,3-benzothiazol-2-one IUPAC Name: 3-(2-hydroxy-3-pyridin-1-ium-1-ylpropyl)-1,3-benzothiazol-2-one Traditional Name: 3-(2-hydroxy-3-pyridin-1-ium-1-yl-propyl)-1,3-benzothiazol-2-one Formula: C15H15N2O2S+ MolecularWeight: 287.3568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N2O2S/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/q+1