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

Systemtic Name: 1-(4-fluorophenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-fluorophenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-fluorophenyl)-3-mercapto-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-fluorophenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-fluorophenyl)-3-(m-anisidino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H18FN2O2S+ MolecularWeight: 381.443223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S

Isomeric SMILES

COC1=CC=CC(=C1)NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C21H17FN2O2S/c1-26-18-7-5-6-17(14-18)23-21(27)19(24-12-3-2-4-13-24)20(25)15-8-10-16(22)11-9-15/h2-14H,1H3,(H-,23,25,27)/p+1