2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C22H26N3OS2+ MolecularWeight: 412.59134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3OS2/c26-21(23-12-14-27-18-8-2-1-3-9-18)16-25-13-6-7-17(15-25)22-24-19-10-4-5-11-20(19)28-22/h1-5,8-11,17H,6-7,12-16H2,(H,23,26)/p+1/t17-/m1/s1