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

Systemtic Name: [3-methoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]methylazanium Openeye Name: [3-methoxy-4-[(3S)-2-oxoazepan-3-yl]oxy-phenyl]methylammonium CAS Name: [3-methoxy-4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]methylammonium IUPAC Name: [3-methoxy-4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]methylazanium Traditional Name: [4-[(3S)-2-ketoazepan-3-yl]oxy-3-methoxy-benzyl]ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH3+])OC2CCCCNC2=O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH3+])O[C@H]2CCCCNC2=O

InChI

InChI=1S/C14H20N2O3/c1-18-13-8-10(9-15)5-6-11(13)19-12-4-2-3-7-16-14(12)17/h5-6,8,12H,2-4,7,9,15H2,1H3,(H,16,17)/p+1/t12-/m0/s1