(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl-methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C25H36N4O2+2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H34N4O2/c1-19-10-11-23(31-19)17-28-14-12-21(13-15-28)16-26(3)18-24-20(2)27(4)29(25(24)30)22-8-6-5-7-9-22/h5-11,21H,12-18H2,1-4H3/p+2