[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(isoxazol-3-ylmethyl)-methyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-(3-isoxazolylmethyl)-methylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(isoxazol-3-ylmethyl)-methyl-ammonium Formula: C22H21N4O3+ MolecularWeight: 389.42714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NOC=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1=NOC=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O3/c1-25(14-18-9-10-29-24-18)12-17-13-26(19-5-3-2-4-6-19)23-22(17)16-7-8-20-21(11-16)28-15-27-20/h2-11,13H,12,14-15H2,1H3/p+1