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

Systemtic Name: 3-[4-(2-azaniumylethyl)-2-ethoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-(2-azaniumylethyl)-2-ethoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-(2-ammonioethyl)-2-ethoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-(2-azaniumylethyl)-2-ethoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[4-(2-ammonioethyl)-2-ethoxy-phenoxy]propyl-dimethyl-ammonium Formula: C15H28N2O2+2 MolecularWeight: 268.39502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O2/c1-4-18-15-12-13(8-9-16)6-7-14(15)19-11-5-10-17(2)3/h6-7,12H,4-5,8-11,16H2,1-3H3/p+2