4-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]morpholin-4-ium Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]morpholin-4-ium CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl]morpholin-4-ium IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]morpholin-4-ium Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-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)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

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