2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(4-fluorophenyl)-3-mercapto-2-propen-1-one IUPAC Name: 3-anilino-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)-3-mercapto-prop-2-en-1-one Formula: C22H21FN3OS+ MolecularWeight: 394.485043

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3OS/c1-25(2)19-12-14-26(15-13-19)20(21(27)16-8-10-17(23)11-9-16)22(28)24-18-6-4-3-5-7-18/h3-15H,1-2H3,(H-,24,27,28)/p+1