3-(piperidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one

Systemtic Name: 3-(piperidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one CAS Name: 3-(1-piperidin-1-iumylmethyl)-1,3-benzothiazol-2-one IUPAC Name: 3-(piperidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one Formula: C13H17N2OS+ MolecularWeight: 249.35188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C13H16N2OS/c16-13-15(10-14-8-4-1-5-9-14)11-6-2-3-7-12(11)17-13/h2-3,6-7H,1,4-5,8-10H2/p+1