1-[(E)-2-[6-(diethylamino)-1-benzofuran-2-yl]ethenyl]quinolin-1-ium-6-sulfonic acid

Systemtic Name: 1-[(E)-2-[6-(diethylamino)-1-benzofuran-2-yl]ethenyl]quinolin-1-ium-6-sulfonic acid Openeye Name: 1-[(E)-2-[6-(diethylamino)benzofuran-2-yl]vinyl]quinolin-1-ium-6-sulfonic acid CAS Name: 1-[(E)-2-[6-(diethylamino)-2-benzofuranyl]ethenyl]-6-quinolin-1-iumsulfonic acid IUPAC Name: 1-[(E)-2-[6-(diethylamino)-1-benzofuran-2-yl]ethenyl]quinolin-1-ium-6-sulfonic acid Traditional Name: 1-[(E)-2-[6-(diethylamino)benzofuran-2-yl]vinyl]quinolin-1-ium-6-sulfonic acid Formula: C23H23N2O4S+ MolecularWeight: 423.50472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(O2)C=C[N+]3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(O2)/C=C/[N+]3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C23H22N2O4S/c1-3-24(4-2)19-8-7-18-14-20(29-23(18)16-19)11-13-25-12-5-6-17-15-21(30(26,27)28)9-10-22(17)25/h5-16H,3-4H2,1-2H3/p+1/b13-11+