3-[2-(1-methylquinolin-1-ium-2-yl)iminoquinolin-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-(1-methylquinolin-1-ium-2-yl)iminoquinolin-1-yl]propane-1-sulfonate Openeye Name: 3-[2-(1-methylquinolin-1-ium-2-yl)imino-1-quinolyl]propane-1-sulfonate CAS Name: 3-[2-[(1-methyl-2-quinolin-1-iumyl)imino]-1-quinolinyl]-1-propanesulfonate IUPAC Name: 3-[2-(1-methylquinolin-1-ium-2-yl)iminoquinolin-1-yl]propane-1-sulfonate Traditional Name: 3-[2-(1-methylquinolin-1-ium-2-yl)imino-1-quinolyl]propane-1-sulfonate Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)N=C3C=CC4=CC=CC=C4N3CCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)N=C3C=CC4=CC=CC=C4N3CCCS(=O)(=O)[O-]

InChI

InChI=1S/C22H21N3O3S/c1-24-19-9-4-2-7-17(19)11-13-21(24)23-22-14-12-18-8-3-5-10-20(18)25(22)15-6-16-29(26,27)28/h2-5,7-14H,6,15-16H2,1H3