N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-[1-[1-(3-methylbut-2-enyl)pyridin-1-ium-4-yl]carbonyl-3-oxidanylidene-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-(2-oxidanylideneethyl)-3-phenyl-propanamide bromide

Systemtic Name: N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-[1-[1-(3-methylbut-2-enyl)pyridin-1-ium-4-yl]carbonyl-3-oxidanylidene-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-(2-oxidanylideneethyl)-3-phenyl-propanamide bromide Openeye Name: N-(4,4-dimethyl-5H-oxazol-2-yl)-2-[2-isopropyl-1-[1-(3-methylbut-2-enyl)pyridin-1-ium-4-carbonyl]-3-oxo-5-phenyl-2H-pyrazin-4-yl]-N-(2-oxoethyl)-3-phenyl-propanamide bromide CAS Name: N-(4,4-dimethyl-5H-oxazol-2-yl)-2-[1-[[1-(3-methylbut-2-enyl)-4-pyridin-1-iumyl]-oxomethyl]-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-(2-oxoethyl)-3-phenylpropanamide bromide IUPAC Name: N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-[1-[1-(3-methylbut-2-enyl)pyridin-1-ium-4-carbonyl]-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-(2-oxoethyl)-3-phenylpropanamide bromide Traditional Name: N-(4,4-dimethyl-2-oxazolin-2-yl)-2-[2-isopropyl-3-keto-1-[1-(3-methylbut-2-enyl)pyridin-1-ium-4-carbonyl]-5-phenyl-2H-pyrazin-4-yl]-N-(2-ketoethyl)-3-phenyl-propionamide bromide Formula: C40H46BrN5O5 MolecularWeight: 756.72774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=[N+](C=C2)CC=C(C)C)C3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)N(CC=O)C5=NC(CO5)(C)C.[Br-]

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=[N+](C=C2)CC=C(C)C)C3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)N(CC=O)C5=NC(CO5)(C)C.[Br-]

InChI

InChI=1S/C40H46N5O5.BrH/c1-28(2)17-20-42-21-18-32(19-22-42)36(47)44-26-34(31-15-11-8-12-16-31)45(38(49)35(44)29(3)4)33(25-30-13-9-7-10-14-30)37(48)43(23-24-46)39-41-40(5,6)27-50-39;/h7-19,21-22,24,26,29,33,35H,20,23,25,27H2,1-6H3;1H/q+1;/p-1