3-[(phenylmethyl)-[2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]ethanoyl]amino]propanamide

Systemtic Name: 3-[(phenylmethyl)-[2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]ethanoyl]amino]propanamide Openeye Name: 3-[benzyl-[2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: 3-[[1-oxo-2-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]ethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetyl]amino]propionamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N(CCC(=O)N)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)N(CCC(=O)N)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c23-21(26)13-15-25(16-18-8-3-1-4-9-18)22(27)17-24-14-7-12-20(24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,23,26)/p+1/t20-/m0/s1