2-[(2-oxidanyl-3-pyridin-1-ium-1-yl-propyl)amino]anthracene-9,10-dione

Systemtic Name: 2-[(2-oxidanyl-3-pyridin-1-ium-1-yl-propyl)amino]anthracene-9,10-dione Openeye Name: 2-[(2-hydroxy-3-pyridin-1-ium-1-yl-propyl)amino]anthracene-9,10-dione CAS Name: 2-[[2-hydroxy-3-(1-pyridin-1-iumyl)propyl]amino]anthracene-9,10-dione IUPAC Name: 2-[(2-hydroxy-3-pyridin-1-ium-1-ylpropyl)amino]anthracene-9,10-dione Traditional Name: 2-[(2-hydroxy-3-pyridin-1-ium-1-yl-propyl)amino]-9,10-anthraquinone Formula: C22H19N2O3+ MolecularWeight: 359.39786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(CNC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1=CC=[N+](C=C1)CC(CNC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C22H18N2O3/c25-16(14-24-10-4-1-5-11-24)13-23-15-8-9-19-20(12-15)22(27)18-7-3-2-6-17(18)21(19)26/h1-12,16,25H,13-14H2/p+1