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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl-phenethyl-(phenylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl-benzyl-phenethyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl-benzyl-phenethylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl-benzyl-phenethyl-ammonium Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)C[NH+](CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)C[NH+](CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3/c1-3-7-19(8-4-1)13-14-28(16-20-9-5-2-6-10-20)17-24-26-25(27-31-24)21-11-12-22-23(15-21)30-18-29-22/h1-12,15H,13-14,16-18H2/p+1