[(2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-oxidanyl-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-hydroxy-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(3-ethoxy-4-hydroxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-hydroxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-hydroxy-phenyl)ethyl]ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C[NH3+])[NH+]2CCCCCC2)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C[NH3+])[NH+]2CCCCCC2)O

InChI

InChI=1S/C16H26N2O2/c1-2-20-16-11-13(7-8-15(16)19)14(12-17)18-9-5-3-4-6-10-18/h7-8,11,14,19H,2-6,9-10,12,17H2,1H3/p+2/t14-/m0/s1