1-(4-methoxy-3-phenethyloxy-phenyl)propan-2-yl-propyl-azanium chloride

Systemtic Name: 1-(4-methoxy-3-phenethyloxy-phenyl)propan-2-yl-propyl-azanium chloride Openeye Name: [2-(4-methoxy-3-phenethyloxy-phenyl)-1-methyl-ethyl]-propyl-ammonium chloride CAS Name: 1-(4-methoxy-3-phenethyloxyphenyl)propan-2-yl-propylammonium chloride IUPAC Name: 1-(4-methoxy-3-phenethyloxyphenyl)propan-2-yl-propylazanium chloride Traditional Name: [2-(4-methoxy-3-phenethyloxy-phenyl)-1-methyl-ethyl]-propyl-ammonium chloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(C)CC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCC[NH2+]C(C)CC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C21H29NO2.ClH/c1-4-13-22-17(2)15-19-10-11-20(23-3)21(16-19)24-14-12-18-8-6-5-7-9-18;/h5-11,16-17,22H,4,12-15H2,1-3H3;1H