3-[2-[(E)-(1-ethylquinolin-2-ylidene)methyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[(E)-(1-ethylquinolin-2-ylidene)methyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(E)-(1-ethyl-2-quinolylidene)methyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(E)-(1-ethyl-2-quinolinylidene)methyl]-6-methyl-1-quinolin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(E)-(1-ethylquinolin-2-ylidene)methyl]-6-methylquinolin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(E)-(1-ethyl-2-quinolylidene)methyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid Formula: C25H27N2O3S+ MolecularWeight: 435.55848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)CCCS(=O)(=O)O)C=CC4=CC=CC=C41

Isomeric SMILES

CCN1/C(=C/C2=[N+](C3=C(C=C2)C=C(C=C3)C)CCCS(=O)(=O)O)/C=CC4=CC=CC=C41

InChI

InChI=1S/C25H26N2O3S/c1-3-26-22(12-10-20-7-4-5-8-24(20)26)18-23-13-11-21-17-19(2)9-14-25(21)27(23)15-6-16-31(28,29)30/h4-5,7-14,17-18H,3,6,15-16H2,1-2H3/p+1