2-pyridin-1-ium-1-yl-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanone bromide

Systemtic Name: 2-pyridin-1-ium-1-yl-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanone bromide Openeye Name: 2-pyridin-1-ium-1-yl-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanone bromide CAS Name: 2-(1-pyridin-1-iumyl)-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanone bromide IUPAC Name: 2-pyridin-1-ium-1-yl-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanone bromide Traditional Name: 2-pyridin-1-ium-1-yl-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanone bromide Formula: C21H20BrNO MolecularWeight: 382.2936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C3=CC=CC=C23)C(=O)C[N+]4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CCC2=C(C1)C=C(C3=CC=CC=C23)C(=O)C[N+]4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H20NO.BrH/c23-21(15-22-12-6-1-7-13-22)20-14-16-8-2-3-9-17(16)18-10-4-5-11-19(18)20;/h1,4-7,10-14H,2-3,8-9,15H2;1H/q+1;/p-1