2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-1-(2-phenoxyethanoyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-1-(2-phenoxyethanoyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-1-(2-phenoxyacetyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-1-(1-oxo-2-phenoxyethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-1-(2-phenoxyacetyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-p-anisyl-1-(2-phenoxyacetyl)piperazin-1-ium-2-yl]acetamide Formula: C29H32N7O4+ MolecularWeight: 542.60888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C29H31N7O4/c1-39-24-9-7-22(8-10-24)19-36(28(38)20-40-25-5-3-2-4-6-25)16-15-34(18-23(36)17-26(30)37)27-11-12-32-29(33-27)35-14-13-31-21-35/h2-14,21,23H,15-20H2,1H3,(H-,30,37)/p+1