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

Systemtic Name: 5-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)pentyl ethanoate iodide Openeye Name: 5-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)pentyl acetate iodide CAS Name: acetic acid 5-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)pentyl ester iodide IUPAC Name: 5-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)pentyl acetate iodide Traditional Name: acetic acid 5-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)pentyl ester iodide Formula: C22H28INO2 MolecularWeight: 465.36769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO2.HI/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;1H/q+1;/p-1