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

Systemtic Name: [(1S)-1-(4-methylphenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium Openeye Name: [(1S)-2-(2-oxoazepan-1-yl)-1-(p-tolyl)ethyl]ammonium CAS Name: [(1S)-1-(4-methylphenyl)-2-(2-oxo-1-azepanyl)ethyl]ammonium IUPAC Name: [(1S)-1-(4-methylphenyl)-2-(2-oxoazepan-1-yl)ethyl]azanium Traditional Name: [(1S)-2-(2-ketoazepan-1-yl)-1-(p-tolyl)ethyl]ammonium Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O/c1-12-6-8-13(9-7-12)14(16)11-17-10-4-2-3-5-15(17)18/h6-9,14H,2-5,10-11,16H2,1H3/p+1/t14-/m1/s1