3-[2-[(E)-(1-ethyl-6-methyl-quinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-(1-ethyl-6-methyl-quinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-(1-ethyl-6-methyl-2-quinolylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-(1-ethyl-6-methyl-2-quinolinylidene)methyl]-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-(1-ethyl-6-methylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-(1-ethyl-6-methyl-2-quinolylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CCCS(=O)(=O)[O-])C=CC4=C1C=CC(=C4)C

Isomeric SMILES

CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CCCS(=O)(=O)[O-])/C=CC4=C1C=CC(=C4)C

InChI

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