5-methyl-4-[2-methyl-1-phenyl-1-(phenylmethyl)indol-1-ium-4-yl]pyrazol-3-one

Systemtic Name: 5-methyl-4-[2-methyl-1-phenyl-1-(phenylmethyl)indol-1-ium-4-yl]pyrazol-3-one Openeye Name: 4-(1-benzyl-2-methyl-1-phenyl-indol-1-ium-4-yl)-5-methyl-pyrazol-3-one CAS Name: 5-methyl-4-[2-methyl-1-phenyl-1-(phenylmethyl)-4-indol-1-iumyl]-3-pyrazolone IUPAC Name: 4-(1-benzyl-2-methyl-1-phenylindol-1-ium-4-yl)-5-methylpyrazol-3-one Traditional Name: 4-(1-benzyl-2-methyl-1-phenyl-indol-1-ium-4-yl)-5-methyl-pyrazol-3-one Formula: C26H22N3O+ MolecularWeight: 392.47238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2[N+]1(CC3=CC=CC=C3)C4=CC=CC=C4)C5=C(N=NC5=O)C

Isomeric SMILES

CC1=CC2=C(C=CC=C2[N+]1(CC3=CC=CC=C3)C4=CC=CC=C4)C5=C(N=NC5=O)C

InChI

InChI=1S/C26H22N3O/c1-18-16-23-22(25-19(2)27-28-26(25)30)14-9-15-24(23)29(18,21-12-7-4-8-13-21)17-20-10-5-3-6-11-20/h3-16H,17H2,1-2H3/q+1