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

Systemtic Name: phenethyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-phenethyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium CAS Name: phenethyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-phenethyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]azanium Traditional Name: benzyl-phenethyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2/c1-4-10-21(11-5-1)16-17-28(18-22-12-6-2-7-13-22)19-25-26-24(27-30-25)20-29-23-14-8-3-9-15-23/h1-15H,16-20H2/p+1