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

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloranyl-2-ethoxy-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloro-2-ethoxy-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(5-chloro-2-ethoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloro-2-ethoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloro-2-ethoxy-phenyl)ethyl]ammonium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2O/c1-2-20-16-8-7-13(17)11-14(16)15(12-18)19-9-5-3-4-6-10-19/h7-8,11,15H,2-6,9-10,12,18H2,1H3/p+2/t15-/m0/s1