3-[4-[(E,3E)-3-(1-ethylquinolin-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-[(E,3E)-3-(1-ethylquinolin-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[(E,3E)-3-(1-ethyl-2-quinolylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-[(E,3E)-3-(1-ethyl-2-quinolinylidene)prop-1-enyl]-1-quinolin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[(E,3E)-3-(1-ethylquinolin-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[(E,3E)-3-(1-ethyl-2-quinolylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid Formula: C26H27N2O3S+ MolecularWeight: 447.56918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=CC2=CC=[N+](C3=CC=CC=C23)CCCS(=O)(=O)O)C=CC4=CC=CC=C41

Isomeric SMILES

CCN1/C(=C/C=C/C2=CC=[N+](C3=CC=CC=C23)CCCS(=O)(=O)O)/C=CC4=CC=CC=C41

InChI

InChI=1S/C26H26N2O3S/c1-2-28-23(16-15-22-9-3-5-13-25(22)28)11-7-10-21-17-19-27(18-8-20-32(29,30)31)26-14-6-4-12-24(21)26/h3-7,9-17,19H,2,8,18,20H2,1H3/p+1