1,1,2-trimethyl-3-octyl-benzo[e]indol-3-ium iodide

Systemtic Name: 1,1,2-trimethyl-3-octyl-benzo[e]indol-3-ium iodide Openeye Name: 1,1,2-trimethyl-3-octyl-benzo[e]indol-3-ium iodide CAS Name: 1,1,2-trimethyl-3-octylbenzo[e]indol-3-ium iodide IUPAC Name: 1,1,2-trimethyl-3-octylbenzo[e]indol-3-ium iodide Traditional Name: 1,1,2-trimethyl-3-octyl-benz[e]indol-3-ium iodide Formula: C23H32IN MolecularWeight: 449.41135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C.[I-]

Isomeric SMILES

CCCCCCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C.[I-]

InChI

InChI=1S/C23H32N.HI/c1-5-6-7-8-9-12-17-24-18(2)23(3,4)22-20-14-11-10-13-19(20)15-16-21(22)24;/h10-11,13-16H,5-9,12,17H2,1-4H3;1H/q+1;/p-1