[(1S)-1-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-[2-(azepan-1-yl)-2-oxo-ethoxy]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-[2-(1-azepanyl)-2-oxoethoxy]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-[2-(azepan-1-yl)-2-keto-ethoxy]phenyl]ethyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OCC(=O)N2CCCCCC2)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OCC(=O)N2CCCCCC2)[NH3+]

InChI

InChI=1S/C16H24N2O2/c1-13(17)14-8-4-5-9-15(14)20-12-16(19)18-10-6-2-3-7-11-18/h4-5,8-9,13H,2-3,6-7,10-12,17H2,1H3/p+1/t13-/m0/s1