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

Systemtic Name: 1-[(2-oxidanyl-3-pyridin-1-ium-1-yl-propoxy)methylamino]anthracene-9,10-dione Openeye Name: 1-[(2-hydroxy-3-pyridin-1-ium-1-yl-propoxy)methylamino]anthracene-9,10-dione CAS Name: 1-[[2-hydroxy-3-(1-pyridin-1-iumyl)propoxy]methylamino]anthracene-9,10-dione IUPAC Name: 1-[(2-hydroxy-3-pyridin-1-ium-1-ylpropoxy)methylamino]anthracene-9,10-dione Traditional Name: 1-[(2-hydroxy-3-pyridin-1-ium-1-yl-propoxy)methylamino]-9,10-anthraquinone Formula: C23H21N2O4+ MolecularWeight: 389.42384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(COCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1=CC=[N+](C=C1)CC(COCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C23H20N2O4/c26-16(13-25-11-4-1-5-12-25)14-29-15-24-20-10-6-9-19-21(20)23(28)18-8-3-2-7-17(18)22(19)27/h1-12,16,26H,13-15H2/p+1