[(2R)-2-(azepan-1-ium-1-yl)-2-(3-methoxy-2-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-methoxy-2-oxidanyl-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-hydroxy-3-methoxy-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(2-hydroxy-3-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-hydroxy-3-methoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-hydroxy-3-methoxy-phenyl)ethyl]ammonium Formula: C15H26N2O2+2 MolecularWeight: 266.37914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

COC1=CC=CC(=C1O)[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C15H24N2O2/c1-19-14-8-6-7-12(15(14)18)13(11-16)17-9-4-2-3-5-10-17/h6-8,13,18H,2-5,9-11,16H2,1H3/p+2/t13-/m0/s1