[(2S)-4-[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]butan-2-yl]azanium Openeye Name: [(1S)-1-methyl-3-[4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]propyl]ammonium CAS Name: [(2S)-4-[4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-[4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]butan-2-yl]azanium Traditional Name: [(1S)-3-[4-[(3S)-2-ketoazepan-3-yl]oxyphenyl]-1-methyl-propyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC2CCCCNC2=O)[NH3+]

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)O[C@H]2CCCCNC2=O)[NH3+]

InChI

InChI=1S/C16H24N2O2/c1-12(17)5-6-13-7-9-14(10-8-13)20-15-4-2-3-11-18-16(15)19/h7-10,12,15H,2-6,11,17H2,1H3,(H,18,19)/p+1/t12-,15-/m0/s1