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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: homoveratryl-[3-methoxy-4-(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=C(C=C2)C[NH2+]CCC3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C[NH2+]CCC3=CC(=C(C=C3)OC)OC)OC

InChI

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