6-methyl-N4-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidin-3-ium-2,4-diamine

Systemtic Name: 6-methyl-N4-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidin-3-ium-2,4-diamine Openeye Name: 6-methyl-N4-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidin-3-ium-2,4-diamine CAS Name: 6-methyl-N4-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]pyrimidin-3-ium-2,4-diamine IUPAC Name: 6-methyl-4-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidin-3-ium-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-3-ium-4-yl)-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]amine Formula: C22H29N7+2 MolecularWeight: 391.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC4=[NH+]C(=NC(=C4)C)N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC4=[NH+]C(=NC(=C4)C)N

InChI

InChI=1S/C22H27N7/c1-16-6-3-4-8-19(16)28-10-12-29(13-11-28)21-18(7-5-9-24-21)15-25-20-14-17(2)26-22(23)27-20/h3-9,14H,10-13,15H2,1-2H3,(H3,23,25,26,27)/p+2