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

Systemtic Name: (3R)-3-acetamido-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (3R)-3-acetamido-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: (3R)-3-acetamido-3-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: (3R)-3-acetamido-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (3R)-3-acetamido-3-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-18(27)25-22(19-9-3-2-4-10-19)15-23(28)24-16-20-11-5-6-12-21(20)17-26-13-7-8-14-26/h2-6,9-12,22H,7-8,13-17H2,1H3,(H,24,28)(H,25,27)/p+1/t22-/m1/s1