[(1S)-1-(4-ethylphenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-(2-oxoazepan-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-(2-oxo-1-azepanyl)ethyl]ammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-(2-oxoazepan-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-(2-ketoazepan-1-yl)ethyl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CN2CCCCCC2=O)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](CN2CCCCCC2=O)[NH3+]

InChI

InChI=1S/C16H24N2O/c1-2-13-7-9-14(10-8-13)15(17)12-18-11-5-3-4-6-16(18)19/h7-10,15H,2-6,11-12,17H2,1H3/p+1/t15-/m1/s1