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

Systemtic Name: butyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium CAS Name: butyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium Traditional Name: benzyl-butyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=NC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=NC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O2/c1-3-4-14-24(15-17-8-6-5-7-9-17)16-20-22-21(23-26-20)18-10-12-19(25-2)13-11-18/h5-13H,3-4,14-16H2,1-2H3/p+1