3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-methyl-1-quinolin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-methylquinolin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid Formula: C23H27N2O3S+ MolecularWeight: 411.53708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC=C(C=C3)N(C)C)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC=C(C=C3)N(C)C)CCCS(=O)(=O)O

InChI

InChI=1S/C23H26N2O3S/c1-18-5-14-23-20(17-18)9-13-22(25(23)15-4-16-29(26,27)28)12-8-19-6-10-21(11-7-19)24(2)3/h5-14,17H,4,15-16H2,1-3H3/p+1