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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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