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

Systemtic Name: (3-fluorophenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: (3-fluorophenyl)methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: (3-fluorophenyl)methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: (3-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=C2)F

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]CC2=CC(=CC=C2)F

InChI

InChI=1S/C13H17FN2O/c14-11-5-3-4-10(8-11)9-16-12-6-1-2-7-15-13(12)17/h3-5,8,12,16H,1-2,6-7,9H2,(H,15,17)/p+1/t12-/m0/s1