[(1S)-2-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-chloro-3-(2-ketopyrrolidino)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)Cl)N2CCCC2=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)Cl)N2CCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O2/c1-24(2)19(15-7-4-3-5-8-15)14-23-21(27)16-10-11-17(22)18(13-16)25-12-6-9-20(25)26/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,23,27)/p+1/t19-/m1/s1