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

Systemtic Name: [1-[[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]methyl]cycloheptyl]-dimethyl-azanium Openeye Name: [1-[[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]cycloheptyl]-dimethyl-ammonium CAS Name: [1-[[[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]cycloheptyl]-dimethylammonium IUPAC Name: [1-[[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]cycloheptyl]-dimethylazanium Traditional Name: [1-[[[4-chloro-3-(2-ketopyrrolidino)benzoyl]amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C21H31ClN3O2+ MolecularWeight: 392.94274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

InChI

InChI=1S/C21H30ClN3O2/c1-24(2)21(11-5-3-4-6-12-21)15-23-20(27)16-9-10-17(22)18(14-16)25-13-7-8-19(25)26/h9-10,14H,3-8,11-13,15H2,1-2H3,(H,23,27)/p+1