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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(1-ethylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(1-ethylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl-(1-ethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl-(1-ethylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(1-ethylpiperidin-1-ium-4-yl)ammonium Formula: C25H32N4O2+2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-2-28-12-10-21(11-13-28)26-17-20-18-29(22-6-4-3-5-7-22)27-25(20)19-8-9-23-24(16-19)31-15-14-30-23/h3-9,16,18,21,26H,2,10-15,17H2,1H3/p+2