5-[9-(2-methylphenoxy)carbonylacridin-10-ium-10-yl]pentanoic acid bromide

Systemtic Name: 5-[9-(2-methylphenoxy)carbonylacridin-10-ium-10-yl]pentanoic acid bromide Openeye Name: 5-[9-(2-methylphenoxy)carbonylacridin-10-ium-10-yl]pentanoic acid bromide CAS Name: 5-[9-[(2-methylphenoxy)-oxomethyl]-10-acridin-10-iumyl]pentanoic acid bromide IUPAC Name: 5-[9-(2-methylphenoxy)carbonylacridin-10-ium-10-yl]pentanoic acid bromide Traditional Name: 5-[9-(2-methylphenoxy)carbonylacridin-10-ium-10-yl]valeric acid bromide Formula: C26H24BrNO4 MolecularWeight: 494.37706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCCC(=O)O.[Br-]

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCCC(=O)O.[Br-]

InChI

InChI=1S/C26H23NO4.BrH/c1-18-10-2-7-15-23(18)31-26(30)25-19-11-3-5-13-21(19)27(17-9-8-16-24(28)29)22-14-6-4-12-20(22)25;/h2-7,10-15H,8-9,16-17H2,1H3;1H