3-[2-[(E)-(1-ethyl-6-methyl-quinolin-2-ylidene)methyl]-8-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-(1-ethyl-6-methyl-quinolin-2-ylidene)methyl]-8-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-(1-ethyl-6-methyl-2-quinolylidene)methyl]-8-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-(1-ethyl-6-methyl-2-quinolinylidene)methyl]-8-methyl-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-(1-ethyl-6-methylquinolin-2-ylidene)methyl]-8-methylquinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-(1-ethyl-6-methyl-2-quinolylidene)methyl]-8-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3S/c1-4-27-23(13-11-22-17-19(2)9-14-25(22)27)18-24-12-10-21-8-5-7-20(3)26(21)28(24)15-6-16-32(29,30)31/h5,7-14,17-18H,4,6,15-16H2,1-3H3