[(1S)-1-[2-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]propyl]azanium

Systemtic Name: [(1S)-1-[2-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]propyl]azanium Openeye Name: [(1S)-1-[2-[(3S)-2-oxoazepan-3-yl]oxyphenyl]propyl]ammonium CAS Name: [(1S)-1-[2-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]propyl]ammonium IUPAC Name: [(1S)-1-[2-[(3S)-2-oxoazepan-3-yl]oxyphenyl]propyl]azanium Traditional Name: [(1S)-1-[2-[(3S)-2-ketoazepan-3-yl]oxyphenyl]propyl]ammonium Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1OC2CCCCNC2=O)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1O[C@H]2CCCCNC2=O)[NH3+]

InChI

InChI=1S/C15H22N2O2/c1-2-12(16)11-7-3-4-8-13(11)19-14-9-5-6-10-17-15(14)18/h3-4,7-8,12,14H,2,5-6,9-10,16H2,1H3,(H,17,18)/p+1/t12-,14-/m0/s1