2-methyl-7-(pyridin-1-ium-1-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione

Systemtic Name: 2-methyl-7-(pyridin-1-ium-1-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione Openeye Name: 2-methyl-7-(pyridin-1-ium-1-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione CAS Name: 2-methyl-7-(1-pyridin-1-iumylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione IUPAC Name: 2-methyl-7-(pyridin-1-ium-1-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione Traditional Name: 2-methyl-7-(pyridin-1-ium-1-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-quinone Formula: C14H16NO4+ MolecularWeight: 262.28114

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(CC(OC2=O)C[N+]3=CC=CC=C3)C(=O)O1

Isomeric SMILES

CC1CC2(CC(OC2=O)C[N+]3=CC=CC=C3)C(=O)O1

InChI

InChI=1S/C14H16NO4/c1-10-7-14(12(16)18-10)8-11(19-13(14)17)9-15-5-3-2-4-6-15/h2-6,10-11H,7-9H2,1H3/q+1