(2R)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]-2-phenyl-acetamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)C(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)[C@H](C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C23H27N3O2/c24-22(27)21(18-7-2-1-3-8-18)25-13-11-19(12-14-25)23(28)26-15-10-17-6-4-5-9-20(17)16-26/h1-9,19,21H,10-16H2,(H2,24,27)/p+1/t21-/m1/s1