[(1S)-2-(2-oxidanylideneazocan-1-yl)-1-(2,4,6-trimethylphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(2-oxidanylideneazocan-1-yl)-1-(2,4,6-trimethylphenyl)ethyl]azanium Openeye Name: [(1S)-2-(2-oxoazocan-1-yl)-1-(2,4,6-trimethylphenyl)ethyl]ammonium CAS Name: [(1S)-2-(2-oxo-1-azocanyl)-1-(2,4,6-trimethylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(2-oxoazocan-1-yl)-1-(2,4,6-trimethylphenyl)ethyl]azanium Traditional Name: [(1S)-2-(2-ketoazocan-1-yl)-1-mesityl-ethyl]ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-13-10-14(2)18(15(3)11-13)16(19)12-20-9-7-5-4-6-8-17(20)21/h10-11,16H,4-9,12,19H2,1-3H3/p+1/t16-/m1/s1