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

Systemtic Name: (3Z,5Z)-1-methyl-3,5-bis[(3-methyl-1-phenyl-pyrazol-4-yl)methylidene]piperidin-1-ium-4-one Openeye Name: (3Z,5Z)-1-methyl-3,5-bis[(3-methyl-1-phenyl-pyrazol-4-yl)methylene]piperidin-1-ium-4-one CAS Name: (3Z,5Z)-1-methyl-3,5-bis[(3-methyl-1-phenyl-4-pyrazolyl)methylidene]-4-piperidin-1-iumone IUPAC Name: (3Z,5Z)-1-methyl-3,5-bis[(3-methyl-1-phenylpyrazol-4-yl)methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5Z)-1-methyl-3,5-bis[(3-methyl-1-phenyl-pyrazol-4-yl)methylene]piperidin-1-ium-4-one Formula: C28H28N5O+ MolecularWeight: 450.55482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=C2C[NH+](CC(=CC3=CN(N=C3C)C4=CC=CC=C4)C2=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C=C1/C=C/2\C(=O)/C(=C\C3=CN(N=C3C)C4=CC=CC=C4)/C[NH+](C2)C)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O/c1-20-22(18-32(29-20)26-10-6-4-7-11-26)14-24-16-31(3)17-25(28(24)34)15-23-19-33(30-21(23)2)27-12-8-5-9-13-27/h4-15,18-19H,16-17H2,1-3H3/p+1/b24-14-,25-15-