[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(2-furylmethyl)-(3-pyridylmethyl)ammonium CAS Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(2-furanylmethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(2-furfuryl)-(3-pyridylmethyl)ammonium Formula: C21H20ClN4O+ MolecularWeight: 379.8627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C[NH+](CC2=CC=CO2)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CN=C1)C[NH+](CC2=CC=CO2)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O/c22-19-7-5-17(6-8-19)21-18(12-24-25-21)14-26(15-20-4-2-10-27-20)13-16-3-1-9-23-11-16/h1-12H,13-15H2,(H,24,25)/p+1