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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C21H25ClN7O+ MolecularWeight: 426.9225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CCNCC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCNCC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C21H24ClN7O/c1-15-2-4-16(5-3-15)13-29(9-7-24-12-17(29)10-19(23)30)20-11-18(22)26-21(27-20)28-8-6-25-14-28/h2-6,8,11,14,17,24H,7,9-10,12-13H2,1H3,(H-,23,30)/p+1