(2-fluorophenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: (2-fluorophenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: (2-fluorophenyl)methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: (2-fluorophenyl)methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (2-fluorophenyl)methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: (2-fluorobenzyl)-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C13H18FN2O+ MolecularWeight: 237.293223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]CC2=CC=CC=C2F

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]CC2=CC=CC=C2F

InChI

InChI=1S/C13H17FN2O/c14-11-6-2-1-5-10(11)9-16-12-7-3-4-8-15-13(12)17/h1-2,5-6,12,16H,3-4,7-9H2,(H,15,17)/p+1/t12-/m0/s1