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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethanoyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-4-(2-phenoxyacetyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-4-(1-oxo-2-phenoxyethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-4-(2-phenoxyacetyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-p-anisyl-4-(2-phenoxyacetyl)piperazin-1-ium-2-yl]acetamide Formula: C30H34N7O4+ MolecularWeight: 556.63546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)COC4=CC=CC=C4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)COC4=CC=CC=C4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C30H33N7O4/c1-22-16-28(34-30(33-22)36-13-12-32-21-36)37(19-23-8-10-25(40-2)11-9-23)15-14-35(18-24(37)17-27(31)38)29(39)20-41-26-6-4-3-5-7-26/h3-13,16,21,24H,14-15,17-20H2,1-2H3,(H-,31,38)/p+1