benzenesulfonate; 1-methylquinolin-1-ium-3-carbaldehyde

Systemtic Name: benzenesulfonate; 1-methylquinolin-1-ium-3-carbaldehyde Openeye Name: benzenesulfonate; 1-methylquinolin-1-ium-3-carbaldehyde CAS Name: benzenesulfonate; 1-methyl-3-quinolin-1-iumcarboxaldehyde IUPAC Name: benzenesulfonate; 1-methylquinolin-1-ium-3-carbaldehyde Traditional Name: 1-methylquinolin-1-ium-3-carbaldehyde besylate Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC2=CC=CC=C21)C=O.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC(=CC2=CC=CC=C21)C=O.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H10NO.C6H6O3S/c1-12-7-9(8-13)6-10-4-2-3-5-11(10)12;7-10(8,9)6-4-2-1-3-5-6/h2-8H,1H3;1-5H,(H,7,8,9)/q+1;/p-1