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

Systemtic Name: [(1S)-2-(2-oxidanylideneazocan-1-yl)-1-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropylphenyl)-2-(2-oxoazocan-1-yl)ethyl]ammonium CAS Name: [(1S)-2-(2-oxo-1-azocanyl)-1-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(2-oxoazocan-1-yl)-1-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: [(1S)-2-(2-ketoazocan-1-yl)-1-p-cumenyl-ethyl]ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-14(2)15-8-10-16(11-9-15)17(19)13-20-12-6-4-3-5-7-18(20)21/h8-11,14,17H,3-7,12-13,19H2,1-2H3/p+1/t17-/m1/s1