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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-pyrrolidin-1-ium-1-ylethyl)ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-pyrrolidin-1-ium-1-ylethyl)ammonium Formula: C24H30N4O2+2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H28N4O2/c1-2-6-21(7-3-1)28-18-20(17-25-10-13-27-11-4-5-12-27)24(26-28)19-8-9-22-23(16-19)30-15-14-29-22/h1-3,6-9,16,18,25H,4-5,10-15,17H2/p+2