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

Systemtic Name: (2R)-N-aminocarbonyl-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-carbamoyl-2-phenyl-acetamide CAS Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-N-carbamoyl-2-phenylacetamide IUPAC Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-carbamoyl-2-phenylacetamide Traditional Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-carbamoyl-2-phenyl-acetamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)C(C4=CC=CC=C4)C(=O)NC(=O)N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)[C@H](C4=CC=CC=C4)C(=O)NC(=O)N

InChI

InChI=1S/C21H22N4O3/c22-21(27)24-19(26)18(14-6-2-1-3-7-14)25-12-10-15(11-13-25)20-23-16-8-4-5-9-17(16)28-20/h1-9,15,18H,10-13H2,(H3,22,24,26,27)/p+1/t18-/m1/s1