[3-ethoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]methylazanium

Systemtic Name: [3-ethoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]methylazanium Openeye Name: [3-ethoxy-4-[(3S)-2-oxoazepan-3-yl]oxy-phenyl]methylammonium CAS Name: [3-ethoxy-4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]methylammonium IUPAC Name: [3-ethoxy-4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]methylazanium Traditional Name: [3-ethoxy-4-[(3S)-2-ketoazepan-3-yl]oxy-benzyl]ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH3+])OC2CCCCNC2=O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH3+])O[C@H]2CCCCNC2=O

InChI

InChI=1S/C15H22N2O3/c1-2-19-14-9-11(10-16)6-7-12(14)20-13-5-3-4-8-17-15(13)18/h6-7,9,13H,2-5,8,10,16H2,1H3,(H,17,18)/p+1/t13-/m0/s1