3-[4-(2-azaniumylethyl)-2-chloranyl-6-ethoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[4-(2-azaniumylethyl)-2-chloranyl-6-ethoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-(2-azaniumylethyl)-2-chloro-6-ethoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-(2-ammonioethyl)-2-chloro-6-ethoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-(2-azaniumylethyl)-2-chloro-6-ethoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[4-(2-ammonioethyl)-2-chloro-6-ethoxy-phenoxy]propyl-dimethyl-ammonium Formula: C15H27ClN2O2+2 MolecularWeight: 302.84008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC[NH3+])Cl)OCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CC[NH3+])Cl)OCCC[NH+](C)C

InChI

InChI=1S/C15H25ClN2O2/c1-4-19-14-11-12(6-7-17)10-13(16)15(14)20-9-5-8-18(2)3/h10-11H,4-9,17H2,1-3H3/p+2