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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=N2)C[NH+](C)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=N2)C[NH+](C)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N5O2/c1-13-4-3-5-16-20(13)24-19(23-16)11-26(2)10-15-9-22-25-21(15)14-6-7-17-18(8-14)28-12-27-17/h3-9H,10-12H2,1-2H3,(H,22,25)(H,23,24)/p+1