2-(3,4-dimethoxyphenyl)ethyl-bis[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-bis[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-bis[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-bis[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-bis[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium Traditional Name: homoveratryl-bis[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ammonium Formula: C28H28N5O4+ MolecularWeight: 498.55302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+](CC2=NC(=NO2)C3=CC=CC=C3)CC4=NC(=NO4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH+](CC2=NC(=NO2)C3=CC=CC=C3)CC4=NC(=NO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N5O4/c1-34-23-14-13-20(17-24(23)35-2)15-16-33(18-25-29-27(31-36-25)21-9-5-3-6-10-21)19-26-30-28(32-37-26)22-11-7-4-8-12-22/h3-14,17H,15-16,18-19H2,1-2H3/p+1