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

Systemtic Name: 1-[1-(1-azanylpropyl)pyridin-1-ium-3-yl]-4-bromanyl-anthracene-9,10-dione Openeye Name: 1-[1-(1-aminopropyl)pyridin-1-ium-3-yl]-4-bromo-anthracene-9,10-dione CAS Name: 1-[1-(1-aminopropyl)-3-pyridin-1-iumyl]-4-bromoanthracene-9,10-dione IUPAC Name: 1-[1-(1-aminopropyl)pyridin-1-ium-3-yl]-4-bromoanthracene-9,10-dione Traditional Name: 1-[1-(1-aminopropyl)pyridin-1-ium-3-yl]-4-bromo-9,10-anthraquinone Formula: C22H18BrN2O2+ MolecularWeight: 422.29452

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN2O2/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/q+1