2-[1-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(1,3-benzothiazole-2-carbonyl)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[1,3-benzothiazol-2-yl(oxo)methyl]-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[1-(1,3-benzothiazole-2-carbonyl)piperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(1,3-benzothiazole-2-carbonyl)piperidin-1-ium-1-yl]acetic acid Formula: C15H17N2O3S+ MolecularWeight: 305.37208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC(=O)O)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CC[N+](CC1)(CC(=O)O)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H16N2O3S/c18-13(19)10-17(8-4-1-5-9-17)15(20)14-16-11-6-2-3-7-12(11)21-14/h2-3,6-7H,1,4-5,8-10H2/p+1