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

Systemtic Name: 2-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline Openeye Name: 2-methyl-5-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline CAS Name: 2-methyl-5-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]quinazoline IUPAC Name: 2-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline Traditional Name: 2-methyl-5-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline Formula: C21H23N6+ MolecularWeight: 359.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C3=CC=CC=C3C(=NC2=C1)N4CC[NH+](CC4)CC5=CN=CC=C5

Isomeric SMILES

CC1=NN2C3=CC=CC=C3C(=NC2=C1)N4CC[NH+](CC4)CC5=CN=CC=C5

InChI

InChI=1S/C21H22N6/c1-16-13-20-23-21(18-6-2-3-7-19(18)27(20)24-16)26-11-9-25(10-12-26)15-17-5-4-8-22-14-17/h2-8,13-14H,9-12,15H2,1H3/p+1