3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-pyridin-2-yl-propanamide

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-pyridin-2-yl-propanamide Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-pyridyl)propanamide CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-pyridin-2-ylpropanamide Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-pyridyl)propionamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCC(=O)NC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCC(=O)NC4=CC=CC=N4

InChI

InChI=1S/C20H22N4OS/c25-19(23-18-7-3-4-11-21-18)10-14-24-12-8-15(9-13-24)20-22-16-5-1-2-6-17(16)26-20/h1-7,11,15H,8-10,12-14H2,(H,21,23,25)/p+1