(3-iodanylphenyl)-[4-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (3-iodanylphenyl)-[4-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone Openeye Name: (3-iodophenyl)-[4-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: (3-iodophenyl)-[4-[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (3-iodophenyl)-[4-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone Traditional Name: (3-iodophenyl)-[4-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]piperazino]methanone Formula: C21H28IN6O+ MolecularWeight: 507.39109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)I)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)I)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H27IN6O/c1-16-14-19(26-8-6-25(2)7-9-26)24-21(23-16)28-12-10-27(11-13-28)20(29)17-4-3-5-18(22)15-17/h3-5,14-15H,6-13H2,1-2H3/p+1