[(1S)-1-(3,4-dimethylphenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-oxoazepan-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-oxo-1-azepanyl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-oxoazepan-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-ketoazepan-1-yl)ethyl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CN2CCCCCC2=O)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](CN2CCCCCC2=O)[NH3+])C

InChI

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