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

Systemtic Name: 3-oxidanylpropyl 2-[1-(3-dodecoxyphenyl)-1-oxidanyl-3-oxidanylidene-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]ethanoate bromide Openeye Name: 3-hydroxypropyl 2-[1-(3-dodecoxyphenyl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetate bromide CAS Name: 2-[1-(3-dodecoxyphenyl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetic acid 3-hydroxypropyl ester bromide IUPAC Name: 3-hydroxypropyl 2-[1-(3-dodecoxyphenyl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetate bromide Traditional Name: 2-[1-hydroxy-3-keto-1-(3-lauryloxyphenyl)-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetic acid 3-hydroxypropyl ester bromide Formula: C30H43BrN2O6 MolecularWeight: 607.57622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)C2(C3=C(C=[N+](C=C3)CC(=O)OCCCO)C(=O)N2)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)C2(C3=C(C=[N+](C=C3)CC(=O)OCCCO)C(=O)N2)O.[Br-]

InChI

InChI=1S/C30H42N2O6.BrH/c1-2-3-4-5-6-7-8-9-10-11-19-37-25-15-12-14-24(21-25)30(36)27-16-17-32(22-26(27)29(35)31-30)23-28(34)38-20-13-18-33;/h12,14-17,21-22,33,36H,2-11,13,18-20,23H2,1H3;1H