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

Systemtic Name: [(1S)-2-(2-oxidanylideneazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethyl]azanium Openeye Name: [(1S)-2-(2-oxoazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethyl]ammonium CAS Name: [(1S)-2-(2-oxo-1-azepanyl)-1-(2,4,6-trimethylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(2-oxoazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethyl]azanium Traditional Name: [(1S)-2-(2-ketoazepan-1-yl)-1-mesityl-ethyl]ammonium Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-12-9-13(2)17(14(3)10-12)15(18)11-19-8-6-4-5-7-16(19)20/h9-10,15H,4-8,11,18H2,1-3H3/p+1/t15-/m1/s1