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

Systemtic Name: furan-2-ylmethyl-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methyl]azanium Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyl-(2-furylmethyl)ammonium CAS Name: 2-furanylmethyl-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl-(furan-2-ylmethyl)azanium Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyl-(2-furfuryl)ammonium Formula: C21H21N4O+ MolecularWeight: 345.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C[NH2+]CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C[NH2+]CC4=CC=CO4

InChI

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