3-butylphthalazin-3-ium-6-carboxylate

Systemtic Name: 3-butylphthalazin-3-ium-6-carboxylate Openeye Name: 3-butylphthalazin-3-ium-6-carboxylate CAS Name: 3-butyl-6-phthalazin-3-iumcarboxylate IUPAC Name: 3-butylphthalazin-3-ium-6-carboxylate Traditional Name: 3-butylphthalazin-3-ium-6-carboxylate Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=NC=C2C=CC(=CC2=C1)C(=O)[O-]

Isomeric SMILES

CCCC[N+]1=NC=C2C=CC(=CC2=C1)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c1-2-3-6-15-9-12-7-10(13(16)17)4-5-11(12)8-14-15/h4-5,7-9H,2-3,6H2,1H3