[3,5-dimethyl-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]methylazanium

Systemtic Name: [3,5-dimethyl-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]methylazanium Openeye Name: [3,5-dimethyl-4-[(3S)-2-oxoazepan-3-yl]oxy-phenyl]methylammonium CAS Name: [3,5-dimethyl-4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]methylammonium IUPAC Name: [3,5-dimethyl-4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]methylazanium Traditional Name: [4-[(3S)-2-ketoazepan-3-yl]oxy-3,5-dimethyl-benzyl]ammonium Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2CCCCNC2=O)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@H]2CCCCNC2=O)C)C[NH3+]

InChI

InChI=1S/C15H22N2O2/c1-10-7-12(9-16)8-11(2)14(10)19-13-5-3-4-6-17-15(13)18/h7-8,13H,3-6,9,16H2,1-2H3,(H,17,18)/p+1/t13-/m0/s1