(3R)-3-acetamido-3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: (3R)-3-acetamido-3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (3R)-3-acetamido-3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: (3R)-3-acetamido-3-phenyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: (3R)-3-acetamido-3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (3R)-3-acetamido-3-phenyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC1=CC=CC=C1C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NCC1=CC=CC=C1C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-19(28)26-23(20-10-4-2-5-11-20)16-24(29)25-17-21-12-6-7-13-22(21)18-27-14-8-3-9-15-27/h2,4-7,10-13,23H,3,8-9,14-18H2,1H3,(H,25,29)(H,26,28)/p+1/t23-/m1/s1