1-[1-(1-azanylpropyl)pyridin-1-ium-3-yl]-4-bromanyl-anthracene-9,10-dione bromide

Systemtic Name: 1-[1-(1-azanylpropyl)pyridin-1-ium-3-yl]-4-bromanyl-anthracene-9,10-dione bromide Openeye Name: 1-[1-(1-aminopropyl)pyridin-1-ium-3-yl]-4-bromo-anthracene-9,10-dione bromide CAS Name: 1-[1-(1-aminopropyl)-3-pyridin-1-iumyl]-4-bromoanthracene-9,10-dione bromide IUPAC Name: 1-[1-(1-aminopropyl)pyridin-1-ium-3-yl]-4-bromoanthracene-9,10-dione bromide Traditional Name: 1-[1-(1-aminopropyl)pyridin-1-ium-3-yl]-4-bromo-9,10-anthraquinone bromide Formula: C22H18Br2N2O2 MolecularWeight: 502.19852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N)[N+]1=CC=CC(=C1)C2=C3C(=C(C=C2)Br)C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

CCC(N)[N+]1=CC=CC(=C1)C2=C3C(=C(C=C2)Br)C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C22H18BrN2O2.BrH/c1-2-18(24)25-11-5-6-13(12-25)14-9-10-17(23)20-19(14)21(26)15-7-3-4-8-16(15)22(20)27;/h3-12,18H,2,24H2,1H3;1H/q+1;/p-1