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

Systemtic Name: 2,5-dimethyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2,5-dimethyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-3-phenyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 2,5-dimethyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2,5-dimethyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C23H25N6+ MolecularWeight: 385.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6/c1-17-16-21(28-14-12-27(13-15-28)20-10-6-7-11-24-20)29-23(25-17)22(18(2)26-29)19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3/p+1