1,10-bis[2-(hydroxymethyl)pyridin-1-ium-1-yl]decane-2,9-dione

Systemtic Name: 1,10-bis[2-(hydroxymethyl)pyridin-1-ium-1-yl]decane-2,9-dione Openeye Name: 1,10-bis[2-(hydroxymethyl)pyridin-1-ium-1-yl]decane-2,9-dione CAS Name: 1,10-bis[2-(hydroxymethyl)-1-pyridin-1-iumyl]decane-2,9-dione IUPAC Name: 1,10-bis[2-(hydroxymethyl)pyridin-1-ium-1-yl]decane-2,9-dione Traditional Name: 1,10-bis(2-methylolpyridin-1-ium-1-yl)decane-2,9-dione Formula: C22H30N2O4+2 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CO)CC(=O)CCCCCCC(=O)C[N+]2=CC=CC=C2CO

Isomeric SMILES

C1=CC=[N+](C(=C1)CO)CC(=O)CCCCCCC(=O)C[N+]2=CC=CC=C2CO

InChI

InChI=1S/C22H30N2O4/c25-17-19-9-5-7-13-23(19)15-21(27)11-3-1-2-4-12-22(28)16-24-14-8-6-10-20(24)18-26/h5-10,13-14,25-26H,1-4,11-12,15-18H2/q+2