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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: [3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-homoveratryl-ammonium Formula: C27H34NO4+ MolecularWeight: 436.56316

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO4/c1-5-31-27-17-23(11-13-25(27)32-19-22-8-6-20(2)7-9-22)18-28-15-14-21-10-12-24(29-3)26(16-21)30-4/h6-13,16-17,28H,5,14-15,18-19H2,1-4H3/p+1