[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxy-2-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxy-2-oxidanyl-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-hydroxy-4-methoxy-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(2-hydroxy-4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-hydroxy-4-methoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-hydroxy-4-methoxy-phenyl)ethyl]ammonium Formula: C15H26N2O2+2 MolecularWeight: 266.37914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C[NH3+])[NH+]2CCCCCC2)O

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H](C[NH3+])[NH+]2CCCCCC2)O

InChI

InChI=1S/C15H24N2O2/c1-19-12-6-7-13(15(18)10-12)14(11-16)17-8-4-2-3-5-9-17/h6-7,10,14,18H,2-5,8-9,11,16H2,1H3/p+2/t14-/m0/s1