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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-methylbenzimidazol-2-yl)ethyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-methylbenzimidazol-2-yl)ethyl]ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-methyl-2-benzimidazolyl)ethyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-methylbenzimidazol-2-yl)ethyl]azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1-methylbenzimidazol-2-yl)ethyl]ammonium Formula: C21H22N5O2+ MolecularWeight: 376.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CC[NH2+]CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CC[NH2+]CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N5O2/c1-26-17-5-3-2-4-16(17)24-20(26)8-9-22-11-15-12-23-25-21(15)14-6-7-18-19(10-14)28-13-27-18/h2-7,10,12,22H,8-9,11,13H2,1H3,(H,23,25)/p+1