[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropyl-p-anisyl-ammonium Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC2=NC(=NO2)C3=CC(=CC=C3)Br)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC2=NC(=NO2)C3=CC(=CC=C3)Br)C4CC4

InChI

InChI=1S/C20H20BrN3O2/c1-25-18-9-5-14(6-10-18)12-24(17-7-8-17)13-19-22-20(23-26-19)15-3-2-4-16(21)11-15/h2-6,9-11,17H,7-8,12-13H2,1H3/p+1