4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline

Systemtic Name: 4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline Openeye Name: 4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline CAS Name: 4-[6-[4-(1-piperazinyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline IUPAC Name: 4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline Traditional Name: 4-[6-(4-piperazinophenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline Formula: C25H23N6+ MolecularWeight: 407.49032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C3=CN=C4C(=CN[N+]4=C3)C5=CC=NC6=CC=CC=C56

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C3=CN=C4C(=CN[N+]4=C3)C5=CC=NC6=CC=CC=C56

InChI

InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2/p+1