2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]azanium Traditional Name: homoveratryl-(3-methoxy-4-phenethyloxy-benzyl)ammonium Formula: C26H32NO4+ MolecularWeight: 422.53658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C26H31NO4/c1-28-23-11-9-21(17-25(23)29-2)13-15-27-19-22-10-12-24(26(18-22)30-3)31-16-14-20-7-5-4-6-8-20/h4-12,17-18,27H,13-16,19H2,1-3H3/p+1