4-chloranylbenzenesulfonate; 1,2-dimethylquinolin-1-ium

Systemtic Name: 4-chloranylbenzenesulfonate; 1,2-dimethylquinolin-1-ium Openeye Name: 4-chlorobenzenesulfonate; 1,2-dimethylquinolin-1-ium CAS Name: 4-chlorobenzenesulfonate; 1,2-dimethylquinolin-1-ium IUPAC Name: 4-chlorobenzenesulfonate; 1,2-dimethylquinolin-1-ium Traditional Name: 4-chlorobesylate; 1,2-dimethylquinolin-1-ium Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C11H12N.C6H5ClO3S/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;7-5-1-3-6(4-2-5)11(8,9)10/h3-8H,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1