(2R)-2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: (2R)-2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: (2R)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]propanamide CAS Name: (2R)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: (2R)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: (2R)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-(4-fluorobenzyl)propionamide Formula: C17H25FN3O2+ MolecularWeight: 322.397703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)[NH+]2CCCN(CC2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)[NH+]2CCCN(CC2)C(=O)C

InChI

InChI=1S/C17H24FN3O2/c1-13(20-8-3-9-21(11-10-20)14(2)22)17(23)19-12-15-4-6-16(18)7-5-15/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)/p+1/t13-/m1/s1