2-(3,4-dimethoxyphenyl)ethyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: homoveratryl-[3-(2-pyrimidyloxy)benzyl]ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=CC=C2)OC3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=CC=C2)OC3=NC=CC=N3)OC

InChI

InChI=1S/C21H23N3O3/c1-25-19-8-7-16(14-20(19)26-2)9-12-22-15-17-5-3-6-18(13-17)27-21-23-10-4-11-24-21/h3-8,10-11,13-14,22H,9,12,15H2,1-2H3/p+1