3-(4-chlorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(4-chlorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(4-chlorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 3-(4-chlorophenyl)-5-methyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(4-chlorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 3-(4-chlorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C22H22ClN6+ MolecularWeight: 405.90328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H21ClN6/c1-16-14-21(28-12-10-27(11-13-28)20-4-2-3-9-24-20)29-22(26-16)19(15-25-29)17-5-7-18(23)8-6-17/h2-9,14-15H,10-13H2,1H3/p+1