3-chloranyl-2-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline

Systemtic Name: 3-chloranyl-2-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline Openeye Name: 3-chloro-2-methyl-5-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline CAS Name: 3-chloro-2-methyl-5-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]quinazoline IUPAC Name: 3-chloro-2-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline Traditional Name: 3-chloro-2-methyl-5-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline Formula: C21H22ClN6+ MolecularWeight: 393.89258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)N4CC[NH+](CC4)CC5=CN=CC=C5

Isomeric SMILES

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)N4CC[NH+](CC4)CC5=CN=CC=C5

InChI

InChI=1S/C21H21ClN6/c1-15-19(22)21-24-20(17-6-2-3-7-18(17)28(21)25-15)27-11-9-26(10-12-27)14-16-5-4-8-23-13-16/h2-8,13H,9-12,14H2,1H3/p+1