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

Systemtic Name: [(1S)-1-(4-methylphenyl)-2-(2-oxidanylideneazocan-1-yl)ethyl]azanium Openeye Name: [(1S)-2-(2-oxoazocan-1-yl)-1-(p-tolyl)ethyl]ammonium CAS Name: [(1S)-1-(4-methylphenyl)-2-(2-oxo-1-azocanyl)ethyl]ammonium IUPAC Name: [(1S)-1-(4-methylphenyl)-2-(2-oxoazocan-1-yl)ethyl]azanium Traditional Name: [(1S)-2-(2-ketoazocan-1-yl)-1-(p-tolyl)ethyl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CCCCCCC2=O)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CN2CCCCCCC2=O)[NH3+]

InChI

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