[6-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]methylazanium

Systemtic Name: [6-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]methylazanium Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-6-(p-tolyl)pyrimidin-4-yl]methylammonium CAS Name: [6-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-pyrimidinyl]methylammonium IUPAC Name: [6-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]methylazanium Traditional Name: [2-(4-methylpiperazin-4-ium-1-yl)-6-(p-tolyl)pyrimidin-4-yl]methylammonium Formula: C17H25N5+2 MolecularWeight: 299.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CC[NH+](CC3)C)C[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CC[NH+](CC3)C)C[NH3+]

InChI

InChI=1S/C17H23N5/c1-13-3-5-14(6-4-13)16-11-15(12-18)19-17(20-16)22-9-7-21(2)8-10-22/h3-6,11H,7-10,12,18H2,1-2H3/p+2