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

Systemtic Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methylphenyl)methyl]-1-(2-phenoxyethanoyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-phenoxyacetyl)-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-methylphenyl)methyl]-1-(1-oxo-2-phenoxyethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(4-methylbenzyl)-1-(2-phenoxyacetyl)piperazin-1-ium-2-yl]acetamide Formula: C30H34N7O3+ MolecularWeight: 540.63606

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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(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=NC(=NC(=C3)C)N4C=CN=C4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C30H33N7O3/c1-22-8-10-24(11-9-22)19-37(29(39)20-40-26-6-4-3-5-7-26)15-14-35(18-25(37)17-27(31)38)28-16-23(2)33-30(34-28)36-13-12-32-21-36/h3-13,16,21,25H,14-15,17-20H2,1-2H3,(H-,31,38)/p+1