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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(2-morpholin-4-ylethyl)azanium Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(2-morpholinoethyl)ammonium CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[2-(4-morpholinyl)ethyl]ammonium IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-(2-morpholin-4-ylethyl)azanium Traditional Name: [4-carbethoxy-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]methyl-(2-morpholinoethyl)ammonium Formula: C21H29N4O5+ MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)C[NH2+]CCN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)C[NH2+]CCN4CCOCC4

InChI

InChI=1S/C21H28N4O5/c1-2-28-21(26)17-14-23-25(16-3-4-19-20(13-16)30-12-11-29-19)18(17)15-22-5-6-24-7-9-27-10-8-24/h3-4,13-14,22H,2,5-12,15H2,1H3/p+1