[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[(1-methyl-2-imidazolyl)methyl]-propan-2-ylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-ylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CC5=NC=CN5C

Isomeric SMILES

CC(C)[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CC5=NC=CN5C

InChI

InChI=1S/C25H27N5O2/c1-18(2)29(16-24-26-11-12-28(24)3)14-20-15-30(21-7-5-4-6-8-21)27-25(20)19-9-10-22-23(13-19)32-17-31-22/h4-13,15,18H,14,16-17H2,1-3H3/p+1