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

Systemtic Name: 5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 5-methyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-7-(4-pyridin-1-ium-2-ylpiperazino)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C15H18N7+ MolecularWeight: 296.35032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N7/c1-12-10-14(22-15(19-12)17-11-18-22)21-8-6-20(7-9-21)13-4-2-3-5-16-13/h2-5,10-11H,6-9H2,1H3/p+1