5-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)pentyl ethanoate

Systemtic Name: 5-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)pentyl ethanoate Openeye Name: 5-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)pentyl acetate CAS Name: acetic acid 5-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)pentyl ester IUPAC Name: 5-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)pentyl acetate Traditional Name: acetic acid 5-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)pentyl ester Formula: C22H28NO2+ MolecularWeight: 338.46322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCCOC(=O)C

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCCOC(=O)C

InChI

InChI=1S/C22H28NO2/c1-16-22(3,4)21-19-11-7-6-10-18(19)12-13-20(21)23(16)14-8-5-9-15-25-17(2)24/h6-7,10-13H,5,8-9,14-15H2,1-4H3/q+1