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

Systemtic Name: N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2-oxidanylideneethyl)-2-[3-oxidanylidene-5-phenyl-1-[1-(phenylmethyl)pyridin-1-ium-4-yl]carbonyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenyl-propanamide bromide Openeye Name: 2-[1-(1-benzylpyridin-1-ium-4-carbonyl)-2-isopropyl-3-oxo-5-phenyl-2H-pyrazin-4-yl]-N-(4,4-dimethyl-5H-oxazol-2-yl)-N-(2-oxoethyl)-3-phenyl-propanamide bromide CAS Name: N-(4,4-dimethyl-5H-oxazol-2-yl)-N-(2-oxoethyl)-2-[3-oxo-1-[oxo-[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropanamide bromide IUPAC Name: 2-[1-(1-benzylpyridin-1-ium-4-carbonyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2-oxoethyl)-3-phenylpropanamide bromide Traditional Name: 2-[1-(1-benzylpyridin-1-ium-4-carbonyl)-2-isopropyl-3-keto-5-phenyl-2H-pyrazin-4-yl]-N-(4,4-dimethyl-2-oxazolin-2-yl)-N-(2-ketoethyl)-3-phenyl-propionamide bromide Formula: C42H44BrN5O5 MolecularWeight: 778.73326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=[N+](C=C2)CC3=CC=CC=C3)C4=CC=CC=C4)C(CC5=CC=CC=C5)C(=O)N(CC=O)C6=NC(CO6)(C)C.[Br-]

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=[N+](C=C2)CC3=CC=CC=C3)C4=CC=CC=C4)C(CC5=CC=CC=C5)C(=O)N(CC=O)C6=NC(CO6)(C)C.[Br-]

InChI

InChI=1S/C42H44N5O5.BrH/c1-30(2)37-40(51)47(35(26-31-14-8-5-9-15-31)39(50)45(24-25-48)41-43-42(3,4)29-52-41)36(33-18-12-7-13-19-33)28-46(37)38(49)34-20-22-44(23-21-34)27-32-16-10-6-11-17-32;/h5-23,25,28,30,35,37H,24,26-27,29H2,1-4H3;1H/q+1;/p-1