1-(4-methoxy-3-phenethyloxy-phenyl)heptan-2-ylazanium chloride

Systemtic Name: 1-(4-methoxy-3-phenethyloxy-phenyl)heptan-2-ylazanium chloride Openeye Name: 1-[(4-methoxy-3-phenethyloxy-phenyl)methyl]hexylammonium chloride CAS Name: 1-(4-methoxy-3-phenethyloxyphenyl)heptan-2-ylammonium chloride IUPAC Name: 1-(4-methoxy-3-phenethyloxyphenyl)heptan-2-ylazanium chloride Traditional Name: 1-(4-methoxy-3-phenethyloxy-benzyl)hexylammonium chloride Formula: C22H32ClNO2 MolecularWeight: 377.94798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2)[NH3+].[Cl-]

Isomeric SMILES

CCCCCC(CC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2)[NH3+].[Cl-]

InChI

InChI=1S/C22H31NO2.ClH/c1-3-4-6-11-20(23)16-19-12-13-21(24-2)22(17-19)25-15-14-18-9-7-5-8-10-18;/h5,7-10,12-13,17,20H,3-4,6,11,14-16,23H2,1-2H3;1H