3-[2,3-dimethyl-4,9-bis(oxidanylidene)benzo[f]benzimidazol-3-ium-1-yl]propanoic acid

Systemtic Name: 3-[2,3-dimethyl-4,9-bis(oxidanylidene)benzo[f]benzimidazol-3-ium-1-yl]propanoic acid Openeye Name: 3-(2,3-dimethyl-4,9-dioxo-benzo[f]benzimidazol-3-ium-1-yl)propanoic acid CAS Name: 3-(2,3-dimethyl-4,9-dioxo-1-benzo[f]benzimidazol-3-iumyl)propanoic acid IUPAC Name: 3-(2,3-dimethyl-4,9-dioxobenzo[f]benzimidazol-3-ium-1-yl)propanoic acid Traditional Name: 3-(4,9-diketo-2,3-dimethyl-benzo[f]benzimidazol-3-ium-1-yl)propionic acid Formula: C16H15N2O4+ MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CCC(=O)O)C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=[N+](C2=C(N1CCC(=O)O)C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C16H14N2O4/c1-9-17(2)13-14(18(9)8-7-12(19)20)16(22)11-6-4-3-5-10(11)15(13)21/h3-6H,7-8H2,1-2H3/p+1