[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=C1)C[NH+](C)CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCCC1=NNC(=C1)C[NH+](C)CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H27N5O2/c1-4-5-17-11-18(23-22-17)14-25(2)12-16-13-26(3)24-21(16)15-6-7-19-20(10-15)28-9-8-27-19/h6-7,10-11,13H,4-5,8-9,12,14H2,1-3H3,(H,22,23)/p+1