3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propanoic acid bromide

Systemtic Name: 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propanoic acid bromide Openeye Name: 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propanoic acid bromide CAS Name: 3-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)propanoic acid bromide IUPAC Name: 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propanoic acid bromide Traditional Name: 3-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)propionic acid bromide Formula: C18H20BrNO2 MolecularWeight: 362.2609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2.BrH/c1-12-18(2,3)17-14-7-5-4-6-13(14)8-9-15(17)19(12)11-10-16(20)21;/h4-9H,10-11H2,1-3H3;1H