4-[2-[(Z)-(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[2-[(Z)-(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[2-[(Z)-(1-ethyl-2-quinolylidene)methyl]quinolin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[2-[(Z)-(1-ethyl-2-quinolinylidene)methyl]-1-quinolin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[2-[(Z)-(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[2-[(Z)-(1-ethyl-2-quinolylidene)methyl]quinolin-1-ium-1-yl]butane-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)CCCCS(=O)(=O)[O-])C=CC4=CC=CC=C41

Isomeric SMILES

CCN1/C(=C\C2=[N+](C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=CC4=CC=CC=C41

InChI

InChI=1S/C25H26N2O3S/c1-2-26-22(15-13-20-9-3-5-11-24(20)26)19-23-16-14-21-10-4-6-12-25(21)27(23)17-7-8-18-31(28,29)30/h3-6,9-16,19H,2,7-8,17-18H2,1H3