2-chloranylbenzenesulfonate; 1-(phenylmethyl)quinolin-1-ium

Systemtic Name: 2-chloranylbenzenesulfonate; 1-(phenylmethyl)quinolin-1-ium Openeye Name: 1-benzylquinolin-1-ium; 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonate; 1-(phenylmethyl)quinolin-1-ium IUPAC Name: 1-benzylquinolin-1-ium; 2-chlorobenzenesulfonate Traditional Name: 1-benzylquinolin-1-ium; 2-chlorobesylate Formula: C22H18ClNO3S MolecularWeight: 411.90122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32.C1=CC=C(C(=C1)S(=O)(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32.C1=CC=C(C(=C1)S(=O)(=O)[O-])Cl

InChI

InChI=1S/C16H14N.C6H5ClO3S/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17;7-5-3-1-2-4-6(5)11(8,9)10/h1-12H,13H2;1-4H,(H,8,9,10)/q+1;/p-1