2-(3,4-dimethoxyphenyl)ethyl-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-ethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-homoveratryl-ammonium Formula: C26H32NO4+ MolecularWeight: 422.53658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31NO4/c1-4-30-26-17-22(11-13-24(26)31-19-21-8-6-5-7-9-21)18-27-15-14-20-10-12-23(28-2)25(16-20)29-3/h5-13,16-17,27H,4,14-15,18-19H2,1-3H3/p+1