[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [3-(4-carbomethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-(3-pyrazol-1-ylbenzyl)ammonium Formula: C22H22N5O3+ MolecularWeight: 404.44178

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)N2C=CC=N2)CC3=NC(=NO3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)N2C=CC=N2)CC3=NC(=NO3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H21N5O3/c1-26(14-16-5-3-6-19(13-16)27-12-4-11-23-27)15-20-24-21(25-30-20)17-7-9-18(10-8-17)22(28)29-2/h3-13H,14-15H2,1-2H3/p+1