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

Systemtic Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]morpholin-4-ium Openeye Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]morpholin-4-ium CAS Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl]morpholin-4-ium IUPAC Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-4-ium Traditional Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]morpholin-4-ium Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O3/c1-2-4-19(5-3-1)25-16-18(15-24-8-10-26-11-9-24)22(23-25)17-6-7-20-21(14-17)28-13-12-27-20/h1-7,14,16H,8-13,15H2/p+1