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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-benzylsulfanylethyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-benzylsulfanylethyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(benzylthio)ethyl]acetamide Formula: C23H28N3OS2+ MolecularWeight: 426.61792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS2/c27-22(24-12-15-28-17-18-6-2-1-3-7-18)16-26-13-10-19(11-14-26)23-25-20-8-4-5-9-21(20)29-23/h1-9,19H,10-17H2,(H,24,27)/p+1