3-(2,3,3-trimethylindol-1-ium-1-yl)propyl ethanoate

Systemtic Name: 3-(2,3,3-trimethylindol-1-ium-1-yl)propyl ethanoate Openeye Name: 3-(2,3,3-trimethylindol-1-ium-1-yl)propyl acetate CAS Name: acetic acid 3-(2,3,3-trimethyl-1-indol-1-iumyl)propyl ester IUPAC Name: 3-(2,3,3-trimethylindol-1-ium-1-yl)propyl acetate Traditional Name: acetic acid 3-(2,3,3-trimethylindol-1-ium-1-yl)propyl ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22NO2/c1-12-16(3,4)14-8-5-6-9-15(14)17(12)10-7-11-19-13(2)18/h5-6,8-9H,7,10-11H2,1-4H3/q+1