3-[2,6-bis(bromanyl)-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-1-(5-methoxypyrimidin-4-yl)-3-(oxidanylidenemethylidene)piperazin-1-ium-1-yl]-5-phenyl-1H-imidazol-2-one

Systemtic Name: 3-[2,6-bis(bromanyl)-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-1-(5-methoxypyrimidin-4-yl)-3-(oxidanylidenemethylidene)piperazin-1-ium-1-yl]-5-phenyl-1H-imidazol-2-one Openeye Name: 3-[2,6-dibromo-4-[3-(4-hydroxyphenyl)-2-(1-piperidylamino)propanoyl]-1-(5-methoxypyrimidin-4-yl)-3-(oxomethylene)piperazin-1-ium-1-yl]-5-phenyl-1H-imidazol-2-one CAS Name: 3-[2,6-dibromo-4-[3-(4-hydroxyphenyl)-1-oxo-2-(1-piperidinylamino)propyl]-1-(5-methoxy-4-pyrimidinyl)-3-(oxomethylidene)-1-piperazin-1-iumyl]-5-phenyl-1H-imidazol-2-one IUPAC Name: 3-[2,6-dibromo-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-1-(5-methoxypyrimidin-4-yl)-3-(oxomethylidene)piperazin-1-ium-1-yl]-5-phenyl-1H-imidazol-2-one Traditional Name: 1-[2,6-dibromo-4-[3-(4-hydroxyphenyl)-2-(piperidinoamino)propanoyl]-3-(ketomethylene)-1-(5-methoxypyrimidin-4-yl)piperazin-1-ium-1-yl]-4-phenyl-4-imidazolin-2-one Formula: C33H35Br2N8O5+ MolecularWeight: 783.4896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1[N+]2(C(CN(C(=C=O)C2Br)C(=O)C(CC3=CC=C(C=C3)O)NN4CCCCC4)Br)N5C=C(NC5=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CN=CN=C1[N+]2(C(CN(C(=C=O)C2Br)C(=O)C(CC3=CC=C(C=C3)O)NN4CCCCC4)Br)N5C=C(NC5=O)C6=CC=CC=C6

InChI

InChI=1S/C33H34Br2N8O5/c1-48-28-17-36-21-37-31(28)43(42-18-26(38-33(42)47)23-8-4-2-5-9-23)29(34)19-41(27(20-44)30(43)35)32(46)25(39-40-14-6-3-7-15-40)16-22-10-12-24(45)13-11-22/h2,4-5,8-13,17-18,21,25,29-30,39H,3,6-7,14-16,19H2,1H3,(H-,38,45,47)/p+1