[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C25H30N4O2+2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2/c1-2-8-22(9-3-1)29-19-21(18-26-11-6-12-28-13-15-30-16-14-28)25(27-29)24-17-20-7-4-5-10-23(20)31-24/h1-5,7-10,17,19,26H,6,11-16,18H2/p+2