2-(3,4-dimethoxyphenyl)ethyl-[(4-hydroxyphenyl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-hydroxyphenyl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-hydroxyphenyl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-hydroxyphenyl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-hydroxyphenyl)methyl]azanium Traditional Name: homoveratryl-(4-hydroxybenzyl)ammonium Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=C(C=C2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=C(C=C2)O)OC

InChI

InChI=1S/C17H21NO3/c1-20-16-8-5-13(11-17(16)21-2)9-10-18-12-14-3-6-15(19)7-4-14/h3-8,11,18-19H,9-10,12H2,1-2H3/p+1