1-[3-(3-fluorophenyl)phenyl]carbonyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[3-(3-fluorophenyl)phenyl]carbonyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-[3-(3-fluorophenyl)benzoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[[3-(3-fluorophenyl)phenyl]-oxomethyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-[3-(3-fluorophenyl)benzoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-[3-(3-fluorophenyl)benzoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C24H29FN3O2+ MolecularWeight: 410.504363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC=CC(=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC=CC(=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H28FN3O2/c25-22-8-4-6-20(18-22)19-5-3-7-21(17-19)24(30)28-12-9-23(29)27(15-16-28)14-13-26-10-1-2-11-26/h3-8,17-18H,1-2,9-16H2/p+1