[3-chloranyl-5-methoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-methoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]methylazanium Openeye Name: [3-chloro-5-methoxy-4-[(3S)-2-oxoazepan-3-yl]oxy-phenyl]methylammonium CAS Name: [3-chloro-5-methoxy-4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-methoxy-4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]methylazanium Traditional Name: [3-chloro-4-[(3S)-2-ketoazepan-3-yl]oxy-5-methoxy-benzyl]ammonium Formula: C14H20ClN2O3+ MolecularWeight: 299.7732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O3/c1-19-12-7-9(8-16)6-10(15)13(12)20-11-4-2-3-5-17-14(11)18/h6-7,11H,2-5,8,16H2,1H3,(H,17,18)/p+1/t11-/m0/s1