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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=CC=C2OC)C[NH2+]CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=CC=C2OC)C[NH2+]CCC3=CC(=C(C=C3)OC)OC

InChI

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