4-[1-methyl-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[1-methyl-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-(1-methyl-2,5-dioxo-pyrrol-1-ium-1-yl)cyclohexanecarboxylic acid CAS Name: 4-(1-methyl-2,5-dioxo-1-pyrrol-1-iumyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-(1-methyl-2,5-dioxopyrrol-1-ium-1-yl)cyclohexane-1-carboxylic acid Traditional Name: 4-(2,5-diketo-1-methyl-3-pyrrolin-1-ium-1-yl)cyclohexanecarboxylic acid Formula: C12H16NO4+ MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C=CC1=O)C2CCC(CC2)C(=O)O

Isomeric SMILES

C[N+]1(C(=O)C=CC1=O)C2CCC(CC2)C(=O)O

InChI

InChI=1S/C12H15NO4/c1-13(10(14)6-7-11(13)15)9-4-2-8(3-5-9)12(16)17/h6-9H,2-5H2,1H3/p+1