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

Systemtic Name: 7-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-3,5-diphenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3,5-diphenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[4-(6-methylpyridin-1-ium-2-yl)piperazino]-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine Formula: C28H27N6+ MolecularWeight: 447.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C3=CC(=NC4=C(C=NN34)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C3=CC(=NC4=C(C=NN34)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H26N6/c1-21-9-8-14-26(30-21)32-15-17-33(18-16-32)27-19-25(23-12-6-3-7-13-23)31-28-24(20-29-34(27)28)22-10-4-2-5-11-22/h2-14,19-20H,15-18H2,1H3/p+1