6-(1,1,2-trimethyl-2,3-dihydrobenzo[e]indol-3-ium-3-yl)hexanoic acid bromide

Systemtic Name: 6-(1,1,2-trimethyl-2,3-dihydrobenzo[e]indol-3-ium-3-yl)hexanoic acid bromide Openeye Name: 6-(1,1,2-trimethyl-2,3-dihydrobenzo[e]indol-3-ium-3-yl)hexanoic acid bromide CAS Name: 6-(1,1,2-trimethyl-2,3-dihydrobenzo[e]indol-3-ium-3-yl)hexanoic acid bromide IUPAC Name: 6-(1,1,2-trimethyl-2,3-dihydrobenzo[e]indol-3-ium-3-yl)hexanoic acid bromide Traditional Name: 6-(1,1,2-trimethyl-2,3-dihydrobenz[e]indol-3-ium-3-yl)hexanoic acid bromide Formula: C21H28BrNO2 MolecularWeight: 406.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C([NH+]1CCCCCC(=O)O)C=CC3=CC=CC=C32)(C)C.[Br-]

Isomeric SMILES

CC1C(C2=C([NH+]1CCCCCC(=O)O)C=CC3=CC=CC=C32)(C)C.[Br-]

InChI

InChI=1S/C21H27NO2.BrH/c1-15-21(2,3)20-17-10-7-6-9-16(17)12-13-18(20)22(15)14-8-4-5-11-19(23)24;/h6-7,9-10,12-13,15H,4-5,8,11,14H2,1-3H3,(H,23,24);1H