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

Systemtic Name: 2-[[1-(4-butylphenyl)-1-oxidanyl-3-oxidanylidene-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[1-(4-butylphenyl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[1-(4-butylphenyl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]methoxy]ethyl ester IUPAC Name: 2-[[1-(4-butylphenyl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[1-(4-butylphenyl)-1-hydroxy-3-keto-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]methoxy]ethyl ester Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-3-4-5-17-6-8-18(9-7-17)22(27)20-10-11-24(14-19(20)21(26)23-22)15-28-12-13-29-16(2)25/h6-11,14,27H,3-5,12-13,15H2,1-2H3/p+1