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

Systemtic Name: [(1S)-1-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]propyl]azanium Openeye Name: [(1S)-1-[2-[2-(azepan-1-yl)-2-oxo-ethoxy]phenyl]propyl]ammonium CAS Name: [(1S)-1-[2-[2-(1-azepanyl)-2-oxoethoxy]phenyl]propyl]ammonium IUPAC Name: [(1S)-1-[2-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]propyl]azanium Traditional Name: [(1S)-1-[2-[2-(azepan-1-yl)-2-keto-ethoxy]phenyl]propyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-2-15(18)14-9-5-6-10-16(14)21-13-17(20)19-11-7-3-4-8-12-19/h5-6,9-10,15H,2-4,7-8,11-13,18H2,1H3/p+1/t15-/m0/s1