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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [4-carbethoxy-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C22H32N4O5+2 MolecularWeight: 432.51328

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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+]CCC[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)C[NH2+]CCC[NH+]4CCOCC4

InChI

InChI=1S/C22H30N4O5/c1-2-29-22(27)18-15-24-26(17-4-5-20-21(14-17)31-13-12-30-20)19(18)16-23-6-3-7-25-8-10-28-11-9-25/h4-5,14-15,23H,2-3,6-13,16H2,1H3/p+2