benzenesulfonate; 1-propylquinolin-1-ium

Systemtic Name: benzenesulfonate; 1-propylquinolin-1-ium Openeye Name: benzenesulfonate; 1-propylquinolin-1-ium CAS Name: benzenesulfonate; 1-propylquinolin-1-ium IUPAC Name: benzenesulfonate; 1-propylquinolin-1-ium Traditional Name: 1-propylquinolin-1-ium besylate Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N.C6H6O3S/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13;7-10(8,9)6-4-2-1-3-5-6/h3-8,10H,2,9H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1