[(2R)-2-(azepan-1-ium-1-yl)-2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)ethyl]ammonium Formula: C16H27ClN2O2+2 MolecularWeight: 314.85078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2O2/c1-2-21-15-10-12(9-13(17)16(15)20)14(11-18)19-7-5-3-4-6-8-19/h9-10,14,20H,2-8,11,18H2,1H3/p+2/t14-/m0/s1