1,8-bis[4-(5-methyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octane-2,7-dione

Systemtic Name: 1,8-bis[4-(5-methyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octane-2,7-dione Openeye Name: 1,8-bis[4-(5-methyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octane-2,7-dione CAS Name: 1,8-bis[4-(5-methyl-1,3-dioxan-2-yl)-1-pyridin-1-iumyl]octane-2,7-dione IUPAC Name: 1,8-bis[4-(5-methyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octane-2,7-dione Traditional Name: 1,8-bis[4-(5-methyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octane-2,7-dione Formula: C28H38N2O6+2 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(OC1)C2=CC=[N+](C=C2)CC(=O)CCCCC(=O)C[N+]3=CC=C(C=C3)C4OCC(CO4)C

Isomeric SMILES

CC1COC(OC1)C2=CC=[N+](C=C2)CC(=O)CCCCC(=O)C[N+]3=CC=C(C=C3)C4OCC(CO4)C

InChI

InChI=1S/C28H38N2O6/c1-21-17-33-27(34-18-21)23-7-11-29(12-8-23)15-25(31)5-3-4-6-26(32)16-30-13-9-24(10-14-30)28-35-19-22(2)20-36-28/h7-14,21-22,27-28H,3-6,15-20H2,1-2H3/q+2