N-(3-fluorophenyl)-3-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]propanamide

Systemtic Name: N-(3-fluorophenyl)-3-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]propanamide Openeye Name: 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-(3-fluorophenyl)propanamide CAS Name: N-(3-fluorophenyl)-3-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]propanamide IUPAC Name: 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-(3-fluorophenyl)propanamide Traditional Name: 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-(3-fluorophenyl)propionamide Formula: C21H24F2N3O2+ MolecularWeight: 388.430966

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC(=CC=C2)F)CCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC(=CC=C2)F)CCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H23F2N3O2/c22-17-5-1-4-16(14-17)21(28)26-10-3-9-25(12-13-26)11-8-20(27)24-19-7-2-6-18(23)15-19/h1-2,4-7,14-15H,3,8-13H2,(H,24,27)/p+1