5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(4-phenylphenyl)methyl]-2-phenyl-pyrazol-3-olate; piperidin-1-ium

Systemtic Name: 5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(4-phenylphenyl)methyl]-2-phenyl-pyrazol-3-olate; piperidin-1-ium Openeye Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-phenylphenyl)methyl]-2-phenyl-pyrazol-3-olate; piperidin-1-ium CAS Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-phenylphenyl)methyl]-2-phenyl-3-pyrazololate; piperidin-1-ium IUPAC Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-phenylphenyl)methyl]-2-phenylpyrazol-3-olate; piperidin-1-ium Traditional Name: 4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(4-phenylphenyl)methyl]-5-methyl-2-phenyl-pyrazol-3-olate; piperidin-1-ium Formula: C38H39N5O2 MolecularWeight: 597.74856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)C5=C(N(N=C5C)C6=CC=CC=C6)[O-].C1CC[NH2+]CC1

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)C5=C(N(N=C5C)C6=CC=CC=C6)[O-].C1CC[NH2+]CC1

InChI

InChI=1S/C33H28N4O2.C5H11N/c1-22-29(32(38)36(34-22)27-14-8-4-9-15-27)31(26-20-18-25(19-21-26)24-12-6-3-7-13-24)30-23(2)35-37(33(30)39)28-16-10-5-11-17-28;1-2-4-6-5-3-1/h3-21,31,34,39H,1-2H3;6H,1-5H2