2-[1-[1-[(2Z)-3,7-dimethylocta-2,6-dienyl]pyridin-1-ium-4-yl]carbonyl-3-oxidanylidene-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2-oxidanylideneethyl)-3-phenyl-propanamide

Systemtic Name: 2-[1-[1-[(2Z)-3,7-dimethylocta-2,6-dienyl]pyridin-1-ium-4-yl]carbonyl-3-oxidanylidene-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2-oxidanylideneethyl)-3-phenyl-propanamide Openeye Name: 2-[1-[1-[(2Z)-3,7-dimethylocta-2,6-dienyl]pyridin-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 CAS Name: 2-[1-[[1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-pyridin-1-iumyl]-oxomethyl]-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-(4,4-dimethyl-5H-oxazol-2-yl)-N-(2-oxoethyl)-3-phenylpropanamide IUPAC Name: 2-[1-[1-[(2Z)-3,7-dimethylocta-2,6-dienyl]pyridin-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 Traditional Name: 2-[1-[1-[(2Z)-3,7-dimethylocta-2,6-dienyl]pyridin-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 Formula: C45H54N5O5+ MolecularWeight: 744.94076

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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)CCC=C(C)C)C3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)N(CC=O)C5=NC(CO5)(C)C

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=[N+](C=C2)C/C=C(/C)\CCC=C(C)C)C3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)N(CC=O)C5=NC(CO5)(C)C

InChI

InChI=1S/C45H54N5O5/c1-32(2)15-14-16-34(5)21-24-47-25-22-37(23-26-47)41(52)49-30-39(36-19-12-9-13-20-36)50(43(54)40(49)33(3)4)38(29-35-17-10-8-11-18-35)42(53)48(27-28-51)44-46-45(6,7)31-55-44/h8-13,15,17-23,25-26,28,30,33,38,40H,14,16,24,27,29,31H2,1-7H3/q+1/b34-21-