benzenesulfonate; 1-methylindeno[2,1-b]pyridin-1-ium-9-one

Systemtic Name: benzenesulfonate; 1-methylindeno[2,1-b]pyridin-1-ium-9-one Openeye Name: benzenesulfonate; 1-methylindeno[2,1-b]pyridin-1-ium-9-one CAS Name: benzenesulfonate; 1-methyl-9-indeno[2,1-b]pyridin-1-iumone IUPAC Name: benzenesulfonate; 1-methylindeno[2,1-b]pyridin-1-ium-9-one Traditional Name: 1-methylindeno[2,1-b]pyridin-1-ium-9-one besylate Formula: C19H15NO4S MolecularWeight: 353.3917

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C(=O)C3=CC=CC=C23.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C(=O)C3=CC=CC=C23.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H10NO.C6H6O3S/c1-14-8-4-7-10-9-5-2-3-6-11(9)13(15)12(10)14;7-10(8,9)6-4-2-1-3-5-6/h2-8H,1H3;1-5H,(H,7,8,9)/q+1;/p-1