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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C24H30N4O3+2 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H28N4O3/c1-2-4-21(5-3-1)28-18-20(17-25-8-9-27-10-12-29-13-11-27)24(26-28)19-6-7-22-23(16-19)31-15-14-30-22/h1-7,16,18,25H,8-15,17H2/p+2