ethyl 1-[[(3E)-3-[(4-methylphenyl)carbonylhydrazinylidene]-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[(3E)-3-[(4-methylphenyl)carbonylhydrazinylidene]-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[(3E)-3-[(4-methylbenzoyl)hydrazono]-2-oxo-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[(3E)-3-[[(4-methylphenyl)-oxomethyl]hydrazinylidene]-2-oxo-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(3E)-3-[(4-methylbenzoyl)hydrazinylidene]-2-oxoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[(3E)-2-keto-3-(p-toluoylhydrazono)indolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=C(C=C4)C)C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3/C(=N\NC(=O)C4=CC=C(C=C4)C)/C2=O

InChI

InChI=1S/C25H28N4O4/c1-3-33-25(32)19-12-14-28(15-13-19)16-29-21-7-5-4-6-20(21)22(24(29)31)26-27-23(30)18-10-8-17(2)9-11-18/h4-11,19H,3,12-16H2,1-2H3,(H,27,30)/p+1/b26-22+