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

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3OS/c26-21(23-13-12-17-7-2-1-3-8-17)16-25-14-6-9-18(15-25)22-24-19-10-4-5-11-20(19)27-22/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,26)/p+1/t18-/m1/s1