ethyl 2-[2-phenyl-1-(phenylmethyl)quinolin-1-ium-4-yl]sulfanylethanoate bromide

Systemtic Name: ethyl 2-[2-phenyl-1-(phenylmethyl)quinolin-1-ium-4-yl]sulfanylethanoate bromide Openeye Name: ethyl 2-(1-benzyl-2-phenyl-quinolin-1-ium-4-yl)sulfanylacetate bromide CAS Name: 2-[[2-phenyl-1-(phenylmethyl)-4-quinolin-1-iumyl]thio]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(1-benzyl-2-phenylquinolin-1-ium-4-yl)sulfanylacetate bromide Traditional Name: 2-[(1-benzyl-2-phenyl-quinolin-1-ium-4-yl)thio]acetic acid ethyl ester bromide Formula: C26H24BrNO2S MolecularWeight: 494.44326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC(=[N+](C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)CSC1=CC(=[N+](C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H24NO2S.BrH/c1-2-29-26(28)19-30-25-17-24(21-13-7-4-8-14-21)27(18-20-11-5-3-6-12-20)23-16-10-9-15-22(23)25;/h3-17H,2,18-19H2,1H3;1H/q+1;/p-1