(3Z,5E)-1-methyl-3,5-bis[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-1-methyl-3,5-bis[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-methyl-3,5-bis[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methylene]piperidin-1-ium-4-one CAS Name: (3Z,5E)-1-methyl-3,5-bis[[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]methylidene]-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-methyl-3,5-bis[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-methyl-3,5-bis[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methylene]piperidin-1-ium-4-one Formula: C36H32N5O3+ MolecularWeight: 582.67098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C=C3C[NH+](CC(=CC4=CN(N=C4C5=CC=C(O5)C)C6=CC=CC=C6)C3=O)C)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2/C=C/3\C[NH+](C/C(=C/C4=CN(N=C4C5=CC=C(O5)C)C6=CC=CC=C6)/C3=O)C)C7=CC=CC=C7

InChI

InChI=1S/C36H31N5O3/c1-24-14-16-32(43-24)34-26(22-40(37-34)30-10-6-4-7-11-30)18-28-20-39(3)21-29(36(28)42)19-27-23-41(31-12-8-5-9-13-31)38-35(27)33-17-15-25(2)44-33/h4-19,22-23H,20-21H2,1-3H3/p+1/b28-18-,29-19+