1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[4-[(5R)-3,5-diphenyl-2-pyrazolin-1-yl]benzylidene]-(4-methylpiperazin-4-ium-1-yl)amine Formula: C27H30N5+ MolecularWeight: 424.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC=C(C=C2)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC=C(C=C2)N3[C@H](CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5/c1-30-16-18-31(19-17-30)28-21-22-12-14-25(15-13-22)32-27(24-10-6-3-7-11-24)20-26(29-32)23-8-4-2-5-9-23/h2-15,21,27H,16-20H2,1H3/p+1/b28-21-/t27-/m1/s1