[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium Formula: C22H21N4O2+ MolecularWeight: 373.42774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O2/c1-26(12-17-4-2-3-16-10-23-8-7-19(16)17)13-18-11-24-25-22(18)15-5-6-20-21(9-15)28-14-27-20/h2-11H,12-14H2,1H3,(H,24,25)/p+1