ethyl 5-(2,3,3-trimethylindol-1-ium-1-yl)pentanoate

Systemtic Name: ethyl 5-(2,3,3-trimethylindol-1-ium-1-yl)pentanoate Openeye Name: ethyl 5-(2,3,3-trimethylindol-1-ium-1-yl)pentanoate CAS Name: 5-(2,3,3-trimethyl-1-indol-1-iumyl)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(2,3,3-trimethylindol-1-ium-1-yl)pentanoate Traditional Name: 5-(2,3,3-trimethylindol-1-ium-1-yl)valeric acid ethyl ester Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C

Isomeric SMILES

CCOC(=O)CCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C

InChI

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