[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+](C)CC2=CC=CO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+](C)CC2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-21(2,3)18-13-19(25(23-18)16-9-6-5-7-10-16)22-20(26)15-24(4)14-17-11-8-12-27-17/h5-13H,14-15H2,1-4H3,(H,22,26)/p+1