furan-2-ylmethyl-[(4-pyrazol-1-ylphenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[(4-pyrazol-1-ylphenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: 2-furylmethyl-[(4-pyrazol-1-ylphenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: 2-furanylmethyl-[[4-(1-pyrazolyl)phenyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[(4-pyrazol-1-ylphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: 2-furfuryl-(4-pyrazol-1-ylbenzyl)-(3-pyridylmethyl)ammonium Formula: C21H21N4O+ MolecularWeight: 345.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C[NH+](CC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CO4

Isomeric SMILES

C1=CC(=CN=C1)C[NH+](CC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CO4

InChI

InChI=1S/C21H20N4O/c1-4-19(14-22-10-1)16-24(17-21-5-2-13-26-21)15-18-6-8-20(9-7-18)25-12-3-11-23-25/h1-14H,15-17H2/p+1