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

Systemtic Name: 2-methyl-3-phenyl-5-propyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2-methyl-3-phenyl-5-propyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 2-methyl-3-phenyl-5-propyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 2-methyl-3-phenyl-5-propyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2-methyl-3-phenyl-5-propyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C25H29N6+ MolecularWeight: 413.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6/c1-3-9-21-18-23(30-16-14-29(15-17-30)22-12-7-8-13-26-22)31-25(27-21)24(19(2)28-31)20-10-5-4-6-11-20/h4-8,10-13,18H,3,9,14-17H2,1-2H3/p+1