(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-phenyl-acetamide Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c21-19(24)18(14-6-2-1-3-7-14)23-12-10-15(11-13-23)20-22-16-8-4-5-9-17(16)25-20/h1-9,15,18H,10-13H2,(H2,21,24)/p+1/t18-/m1/s1