5-methyl-4-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-methyl-4-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyrimidine Openeye Name: 5-methyl-4-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyrimidine CAS Name: 5-methyl-4-(1-methyl-4-pyrazolyl)-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]pyrimidine IUPAC Name: 5-methyl-4-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyrimidine Traditional Name: 5-methyl-4-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-4-ylpiperazino)pyrimidine Formula: C18H22N7+ MolecularWeight: 336.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CN(N=C2)C)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CC1=CN=C(N=C1C2=CN(N=C2)C)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C18H21N7/c1-14-11-20-18(22-17(14)15-12-21-23(2)13-15)25-9-7-24(8-10-25)16-3-5-19-6-4-16/h3-6,11-13H,7-10H2,1-2H3/p+1