(2S)-2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]propanamide

Systemtic Name: (2S)-2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]propanamide IUPAC Name: (2S)-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]propionamide Formula: C15H21FN3O2+ MolecularWeight: 294.344543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

C[C@@H](C(=O)N)[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C15H20FN3O2/c1-11(14(17)20)18-6-3-7-19(9-8-18)15(21)12-4-2-5-13(16)10-12/h2,4-5,10-11H,3,6-9H2,1H3,(H2,17,20)/p+1/t11-/m0/s1