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

Systemtic Name: 3-[2-(2-azaniumylethyl)-4-chloranyl-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-(2-azaniumylethyl)-4-chloro-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-(2-ammonioethyl)-4-chlorophenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-(2-azaniumylethyl)-4-chlorophenoxy]propyl-dimethylazanium Traditional Name: 3-[2-(2-ammonioethyl)-4-chloro-phenoxy]propyl-dimethyl-ammonium Formula: C13H23ClN2O+2 MolecularWeight: 258.78752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)CC[NH3+]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)CC[NH3+]

InChI

InChI=1S/C13H21ClN2O/c1-16(2)8-3-9-17-13-5-4-12(14)10-11(13)6-7-15/h4-5,10H,3,6-9,15H2,1-2H3/p+2