[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: [3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: benzyl-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C22H22N3O+ MolecularWeight: 344.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C[NH2+]CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C[NH2+]CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O/c1-17-12-13-21(26-17)22-19(15-23-14-18-8-4-2-5-9-18)16-25(24-22)20-10-6-3-7-11-20/h2-13,16,23H,14-15H2,1H3/p+1