2-bromanyl-1-(1,1-dimethyl-6-oxidanyl-benzo[e]indol-3-ium-3-yl)ethanone

Systemtic Name: 2-bromanyl-1-(1,1-dimethyl-6-oxidanyl-benzo[e]indol-3-ium-3-yl)ethanone Openeye Name: 2-bromo-1-(6-hydroxy-1,1-dimethyl-benzo[e]indol-3-ium-3-yl)ethanone CAS Name: 2-bromo-1-(6-hydroxy-1,1-dimethyl-3-benzo[e]indol-3-iumyl)ethanone IUPAC Name: 2-bromo-1-(6-hydroxy-1,1-dimethylbenzo[e]indol-3-ium-3-yl)ethanone Traditional Name: 2-bromo-1-(6-hydroxy-1,1-dimethyl-benz[e]indol-3-ium-3-yl)ethanone Formula: C16H15BrNO2+ MolecularWeight: 333.1998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=[N+](C2=C1C3=C(C=C2)C(=CC=C3)O)C(=O)CBr)C

Isomeric SMILES

CC1(C=[N+](C2=C1C3=C(C=C2)C(=CC=C3)O)C(=O)CBr)C

InChI

InChI=1S/C16H14BrNO2/c1-16(2)9-18(14(20)8-17)12-7-6-10-11(15(12)16)4-3-5-13(10)19/h3-7,9H,8H2,1-2H3/p+1