2-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[4-chloro-3-(2-ketopyrrolidino)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

InChI

InChI=1S/C22H26ClN3O2/c1-24(2)13-14-25(16-17-7-4-3-5-8-17)22(28)18-10-11-19(23)20(15-18)26-12-6-9-21(26)27/h3-5,7-8,10-11,15H,6,9,12-14,16H2,1-2H3/p+1