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

Systemtic Name: 1-[4-(4-fluorophenyl)phenyl]carbonyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-[4-(4-fluorophenyl)benzoyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[[4-(4-fluorophenyl)phenyl]-oxomethyl]-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-[4-(4-fluorophenyl)benzoyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-[4-(4-fluorophenyl)benzoyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C25H31FN3O2+ MolecularWeight: 424.530943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](CC1)CCN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O2/c26-23-10-8-21(9-11-23)20-4-6-22(7-5-20)25(31)29-15-12-24(30)28(18-19-29)17-16-27-13-2-1-3-14-27/h4-11H,1-3,12-19H2/p+1