2-(3,4-dimethoxyphenyl)ethyl-phenethyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-phenethyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-phenethyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-phenethylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-phenethylazanium Traditional Name: homoveratryl(phenethyl)ammonium Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H23NO2/c1-20-17-9-8-16(14-18(17)21-2)11-13-19-12-10-15-6-4-3-5-7-15/h3-9,14,19H,10-13H2,1-2H3/p+1