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

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-acetamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N3OS/c27-22(24-18-10-11-18)21(16-6-2-1-3-7-16)26-14-12-17(13-15-26)23-25-19-8-4-5-9-20(19)28-23/h1-9,17-18,21H,10-15H2,(H,24,27)/p+1/t21-/m1/s1