[(1S)-1-[3-methoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-methoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-methoxy-4-[(3S)-2-oxoazepan-3-yl]oxy-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-methoxy-4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-methoxy-4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-[(3S)-2-ketoazepan-3-yl]oxy-3-methoxy-phenyl]ethyl]ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-10(16)11-6-7-12(14(9-11)19-2)20-13-5-3-4-8-17-15(13)18/h6-7,9-10,13H,3-5,8,16H2,1-2H3,(H,17,18)/p+1/t10-,13-/m0/s1