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

Systemtic Name: [3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methyl-phenethyl-azanium Openeye Name: [3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methyl-phenethyl-ammonium CAS Name: [3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methyl-phenethylammonium IUPAC Name: [3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methyl-phenethylazanium Traditional Name: methyl-phenethyl-[(3-veratryl-1,2,4-oxadiazol-5-yl)methyl]ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=NC(=NO2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=NC(=NO2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O3/c1-24(12-11-16-7-5-4-6-8-16)15-21-22-20(23-27-21)14-17-9-10-18(25-2)19(13-17)26-3/h4-10,13H,11-12,14-15H2,1-3H3/p+1