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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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