4-(2-pyrrolidin-1-ium-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-(2-pyrrolidin-1-ium-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-5-one Openeye Name: 4-(2-pyrrolidin-1-ium-1-ylethyl)-1-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one CAS Name: 1-[oxo-[2-(trifluoromethyl)phenyl]methyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 4-(2-pyrrolidin-1-ium-1-ylethyl)-1-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one Traditional Name: 4-(2-pyrrolidin-1-ium-1-ylethyl)-1-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one Formula: C19H25F3N3O2+ MolecularWeight: 384.41591

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H24F3N3O2/c20-19(21,22)16-6-2-1-5-15(16)18(27)25-10-7-17(26)24(13-14-25)12-11-23-8-3-4-9-23/h1-2,5-6H,3-4,7-14H2/p+1