7-[1-(oxidanylidenemethylidene)pyrrol-1-ium-2-yl]heptanoic acid

Systemtic Name: 7-[1-(oxidanylidenemethylidene)pyrrol-1-ium-2-yl]heptanoic acid Openeye Name: 7-[1-(oxomethylene)pyrrol-1-ium-2-yl]heptanoic acid CAS Name: 7-[1-(oxomethylidene)-2-pyrrol-1-iumyl]heptanoic acid IUPAC Name: 7-[1-(oxomethylidene)pyrrol-1-ium-2-yl]heptanoic acid Traditional Name: 7-[1-(ketomethylene)pyrrol-1-ium-2-yl]enanthic acid Formula: C12H16NO3+ MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=C=O)C(=C1)CCCCCCC(=O)O

Isomeric SMILES

C1=C[N+](=C=O)C(=C1)CCCCCCC(=O)O

InChI

InChI=1S/C12H15NO3/c14-10-13-9-5-7-11(13)6-3-1-2-4-8-12(15)16/h5,7,9H,1-4,6,8H2/p+1