3-[2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(1-ethyl-2-quinolylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(1-ethyl-2-quinolinylidene)methyl]-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(1-ethyl-2-quinolylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CCCS(=O)(=O)[O-])C=CC4=CC=CC=C41

Isomeric SMILES

CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CCCS(=O)(=O)[O-])C=CC4=CC=CC=C41

InChI

InChI=1S/C24H24N2O3S/c1-2-25-21(14-12-19-8-3-5-10-23(19)25)18-22-15-13-20-9-4-6-11-24(20)26(22)16-7-17-30(27,28)29/h3-6,8-15,18H,2,7,16-17H2,1H3