N-(1,3-benzothiazol-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]ethanamide chloride

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]acetamide chloride CAS Name: N-(1,3-benzothiazol-2-yl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]acetamide chloride IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]acetamide chloride Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(3-methylolpyridin-1-ium-1-yl)acetamide chloride Formula: C15H14ClN3O2S MolecularWeight: 335.80856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)C[N+]3=CC=CC(=C3)CO.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C[N+]3=CC=CC(=C3)CO.[Cl-]

InChI

InChI=1S/C15H13N3O2S.ClH/c19-10-11-4-3-7-18(8-11)9-14(20)17-15-16-12-5-1-2-6-13(12)21-15;/h1-8,19H,9-10H2;1H