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

Systemtic Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]morpholin-4-ium Openeye Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]morpholin-4-ium CAS Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl]morpholin-4-ium IUPAC Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]morpholin-4-ium Traditional Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]morpholin-4-ium Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+]4CCOCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+]4CCOCC4

InChI

InChI=1S/C17H21N3O3/c1-19-11-14(12-20-4-6-21-7-5-20)17(18-19)13-2-3-15-16(10-13)23-9-8-22-15/h2-3,10-11H,4-9,12H2,1H3/p+1