4-[(E)-1-(1-ethylquinolin-1-ium-4-yl)-2-phenyl-ethenyl]-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(E)-1-(1-ethylquinolin-1-ium-4-yl)-2-phenyl-ethenyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(E)-1-(1-ethylquinolin-1-ium-4-yl)-2-phenyl-vinyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(E)-1-(1-ethyl-4-quinolin-1-iumyl)-2-phenylethenyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(E)-1-(1-ethylquinolin-1-ium-4-yl)-2-phenylethenyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[(E)-1-(1-ethylquinolin-1-ium-4-yl)-2-phenyl-vinyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C29H26N3O+ MolecularWeight: 432.53624

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)C(=CC3=CC=CC=C3)C4=CN(N(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)/C(=C\C3=CC=CC=C3)/C4=CN(N(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C29H26N3O/c1-3-31-19-18-24(25-16-10-11-17-28(25)31)26(20-22-12-6-4-7-13-22)27-21-30(2)32(29(27)33)23-14-8-5-9-15-23/h4-21H,3H2,1-2H3/q+1/b26-20+