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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C26H34N4O2+2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H32N4O2/c1-2-12-29-13-10-22(11-14-29)27-18-21-19-30(23-6-4-3-5-7-23)28-26(21)20-8-9-24-25(17-20)32-16-15-31-24/h3-9,17,19,22,27H,2,10-16,18H2,1H3/p+2