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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl-methyl-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-(3-pyrazol-1-ylbenzyl)ammonium Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+](C)CC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+](C)CC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C24H25N5O2/c1-27(15-18-5-3-6-21(13-18)29-10-4-9-25-29)16-20-17-28(2)26-24(20)19-7-8-22-23(14-19)31-12-11-30-22/h3-10,13-14,17H,11-12,15-16H2,1-2H3/p+1