1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]amine Formula: C29H30N5+ MolecularWeight: 448.582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CC[NH+](CC3)C4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/N3CC[NH+](CC3)C4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C29H29N5/c1-21-28(22(2)34(31-21)23-10-4-3-5-11-23)20-30-33-18-16-32(17-19-33)29-26-14-8-6-12-24(26)25-13-7-9-15-27(25)29/h3-15,20,29H,16-19H2,1-2H3/p+1/b30-20+