2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C26H29N4O+ MolecularWeight: 413.53466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H28N4O/c31-26(30-14-13-25(27-30)22-8-2-1-3-9-22)20-29-17-15-28(16-18-29)19-23-11-6-10-21-7-4-5-12-24(21)23/h1-12H,13-20H2/p+1