2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-methyl-1-[(4-methylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methyl-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C23H30N7O+ MolecularWeight: 420.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=NC(=NC(=C3)C)N4C=CN=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=NC(=NC(=C3)C)N4C=CN=C4)C

InChI

InChI=1S/C23H29N7O/c1-17-4-6-19(7-5-17)15-30(3)11-10-28(14-20(30)13-21(24)31)22-12-18(2)26-23(27-22)29-9-8-25-16-29/h4-9,12,16,20H,10-11,13-15H2,1-3H3,(H-,24,31)/p+1