tert-butyl (5E)-5-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-4-(phenylmethyl)-2H-pyrazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl (5E)-5-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-4-(phenylmethyl)-2H-pyrazin-1-ium-1-carboxylate Openeye Name: tert-butyl (5E)-4-benzyl-5-[(3-methoxyphenyl)methylene]-3-oxo-2H-pyrazin-1-ium-1-carboxylate CAS Name: (5E)-5-[(3-methoxyphenyl)methylidene]-3-oxo-4-(phenylmethyl)-2H-pyrazin-1-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5E)-4-benzyl-5-[(3-methoxyphenyl)methylidene]-3-oxo-2H-pyrazin-1-ium-1-carboxylate Traditional Name: (5E)-4-benzyl-3-keto-5-m-anisylidene-2H-pyrazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1=CC(=CC2=CC(=CC=C2)OC)N(C(=O)C1)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1=C/C(=C\C2=CC(=CC=C2)OC)/N(C(=O)C1)CC3=CC=CC=C3

InChI

InChI=1S/C24H27N2O4/c1-24(2,3)30-23(28)25-16-20(13-19-11-8-12-21(14-19)29-4)26(22(27)17-25)15-18-9-6-5-7-10-18/h5-14,16H,15,17H2,1-4H3/q+1/b20-13+