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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2-(3,4-dimethoxyphenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 2-(3,4-dimethoxyphenyl)-5-methyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2-(3,4-dimethoxyphenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O2/c1-17-14-24(29-12-10-28(11-13-29)22-6-4-5-9-25-22)30-23(26-17)16-19(27-30)18-7-8-20(31-2)21(15-18)32-3/h4-9,14-16H,10-13H2,1-3H3/p+1