2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloranylpyridin-3-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloranylpyridin-3-yl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-3-pyridyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-chloro-3-pyridinyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloropyridin-3-yl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-3-pyridyl)acetamide Formula: C19H20ClN4OS+ MolecularWeight: 387.9063

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C19H19ClN4OS/c20-18-15(5-3-9-21-18)22-17(25)12-24-10-7-13(8-11-24)19-23-14-4-1-2-6-16(14)26-19/h1-6,9,13H,7-8,10-12H2,(H,22,25)/p+1