5-(2,3,3-trimethylindol-1-ium-1-yl)pentyl ethanoate bromide

Systemtic Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)pentyl ethanoate bromide Openeye Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)pentyl acetate bromide CAS Name: acetic acid 5-(2,3,3-trimethyl-1-indol-1-iumyl)pentyl ester bromide IUPAC Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)pentyl acetate bromide Traditional Name: acetic acid 5-(2,3,3-trimethylindol-1-ium-1-yl)pentyl ester bromide Formula: C18H26BrNO2 MolecularWeight: 368.30854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCCOC(=O)C.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCCOC(=O)C.[Br-]

InChI

InChI=1S/C18H26NO2.BrH/c1-14-18(3,4)16-10-6-7-11-17(16)19(14)12-8-5-9-13-21-15(2)20;/h6-7,10-11H,5,8-9,12-13H2,1-4H3;1H/q+1;/p-1