ethyl 2-[1-(4-butylphenyl)-1-oxidanyl-3-oxidanylidene-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]ethanoate

Systemtic Name: ethyl 2-[1-(4-butylphenyl)-1-oxidanyl-3-oxidanylidene-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]ethanoate Openeye Name: ethyl 2-[1-(4-butylphenyl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetate CAS Name: 2-[1-(4-butylphenyl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-butylphenyl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetate Traditional Name: 2-[1-(4-butylphenyl)-1-hydroxy-3-keto-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetic acid ethyl ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2(C3=C(C=[N+](C=C3)CC(=O)OCC)C(=O)N2)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2(C3=C(C=[N+](C=C3)CC(=O)OCC)C(=O)N2)O

InChI

InChI=1S/C21H24N2O4/c1-3-5-6-15-7-9-16(10-8-15)21(26)18-11-12-23(14-19(24)27-4-2)13-17(18)20(25)22-21/h7-13,26H,3-6,14H2,1-2H3/p+1