2-(3,4-dimethoxyphenyl)ethyl-[(3,4-dimethylphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3,4-dimethylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3,4-dimethylphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3,4-dimethylphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3,4-dimethylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (3,4-dimethylbenzyl)-homoveratryl-(4-pyridylmethyl)ammonium Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+](CCC2=CC(=C(C=C2)OC)OC)CC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+](CCC2=CC(=C(C=C2)OC)OC)CC3=CC=NC=C3)C

InChI

InChI=1S/C25H30N2O2/c1-19-5-6-23(15-20(19)2)18-27(17-22-9-12-26-13-10-22)14-11-21-7-8-24(28-3)25(16-21)29-4/h5-10,12-13,15-16H,11,14,17-18H2,1-4H3/p+1