[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-ethyl-(2-hydroxyethyl)azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-ethyl-(2-hydroxyethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-ethyl-(2-hydroxyethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-ethyl-(2-hydroxyethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-ethyl-(2-hydroxyethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-ethyl-(2-hydroxyethyl)ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCO)CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CCO)CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c1-2-24(10-11-26)14-19-15-25(13-17-6-4-3-5-7-17)23-22(19)18-8-9-20-21(12-18)28-16-27-20/h3-9,12,15,26H,2,10-11,13-14,16H2,1H3/p+1