1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4O2/c1-25-9-11-26(12-10-25)16-19-17-27(20-5-3-2-4-6-20)24-23(19)18-7-8-21-22(15-18)29-14-13-28-21/h2-8,15,17H,9-14,16H2,1H3/p+1