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

Systemtic Name: 3-[2-[(E)-(1-ethyl-6-methyl-quinolin-2-ylidene)methyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-(1-ethyl-6-methyl-2-quinolylidene)methyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-(1-ethyl-6-methyl-2-quinolinylidene)methyl]-6-methyl-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-(1-ethyl-6-methylquinolin-2-ylidene)methyl]-6-methylquinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-(1-ethyl-6-methyl-2-quinolylidene)methyl]-6-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=C2)C=C(C=C3)C)CCCS(=O)(=O)[O-])C=CC4=C1C=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3S/c1-4-27-23(10-8-21-16-19(2)6-12-25(21)27)18-24-11-9-22-17-20(3)7-13-26(22)28(24)14-5-15-32(29,30)31/h6-13,16-18H,4-5,14-15H2,1-3H3