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

Systemtic Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)pentyl ethanoate Openeye Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)pentyl acetate CAS Name: acetic acid 5-(2,3,3-trimethyl-1-indol-1-iumyl)pentyl ester IUPAC Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)pentyl acetate Traditional Name: acetic acid 5-(2,3,3-trimethylindol-1-ium-1-yl)pentyl ester Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26NO2/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/q+1