quinolin-1-ium benzoate

Systemtic Name: quinolin-1-ium benzoate Openeye Name: quinolin-1-ium benzoate CAS Name: quinolin-1-ium benzoate IUPAC Name: quinolin-1-ium benzoate Traditional Name: quinolin-1-ium benzoate Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

InChI

InChI=1S/C9H7N.C7H6O2/c1-2-6-9-8(4-1)5-3-7-10-9;8-7(9)6-4-2-1-3-5-6/h1-7H;1-5H,(H,8,9)