(E)-2-(4-fluorophenyl)sulfonyl-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enenitrile CAS Name: (E)-2-(4-fluorophenyl)sulfonyl-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenenitrile IUPAC Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(2-morpholinoquinolin-1-ium-3-yl)acrylonitrile Formula: C22H19FN3O3S+ MolecularWeight: 424.467963

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O3S/c23-18-5-7-19(8-6-18)30(27,28)20(15-24)14-17-13-16-3-1-2-4-21(16)25-22(17)26-9-11-29-12-10-26/h1-8,13-14H,9-12H2/p+1/b20-14+