2-ethyl-5-methyl-7-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-ethyl-5-methyl-7-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 2-ethyl-5-methyl-7-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2-ethyl-5-methyl-7-[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 2-ethyl-5-methyl-7-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 2-ethyl-5-methyl-7-[4-(6-methylpyridin-1-ium-2-yl)piperazino]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C25H29N6+ MolecularWeight: 413.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CCN(CC4)C5=CC=CC(=[NH+]5)C

Isomeric SMILES

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CCN(CC4)C5=CC=CC(=[NH+]5)C

InChI

InChI=1S/C25H28N6/c1-4-21-24(20-10-6-5-7-11-20)25-27-19(3)17-23(31(25)28-21)30-15-13-29(14-16-30)22-12-8-9-18(2)26-22/h5-12,17H,4,13-16H2,1-3H3/p+1