2-[2-[2,3-bis(bromanyl)-4-butyl-1-(phenylcarbonyl)pyrrol-1-ium-1-yl]ethyl]propanedioate

Systemtic Name: 2-[2-[2,3-bis(bromanyl)-4-butyl-1-(phenylcarbonyl)pyrrol-1-ium-1-yl]ethyl]propanedioate Openeye Name: 2-[2-(1-benzoyl-2,3-dibromo-4-butyl-pyrrol-1-ium-1-yl)ethyl]propanedioate CAS Name: 2-[2-(1-benzoyl-2,3-dibromo-4-butyl-1-pyrrol-1-iumyl)ethyl]propanedioate IUPAC Name: 2-[2-(1-benzoyl-2,3-dibromo-4-butylpyrrol-1-ium-1-yl)ethyl]propanedioate Traditional Name: 2-[2-(1-benzoyl-2,3-dibromo-4-butyl-pyrrol-1-ium-1-yl)ethyl]malonate Formula: C20H20Br2NO5- MolecularWeight: 514.1845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[N+](C(=C1Br)Br)(CCC(C(=O)[O-])C(=O)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C[N+](C(=C1Br)Br)(CCC(C(=O)[O-])C(=O)[O-])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21Br2NO5/c1-2-3-7-14-12-23(17(22)16(14)21,11-10-15(19(25)26)20(27)28)18(24)13-8-5-4-6-9-13/h4-6,8-9,12,15H,2-3,7,10-11H2,1H3,(H-,25,26,27,28)/p-1