3-(butylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-(butylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(butylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(butylamino)-3-mercapto-1-(4-methoxyphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(butylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(butylamino)-3-mercapto-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=C(C(=O)C1=CC=C(C=C1)OC)[N+]2=CC=CC=C2)S

Isomeric SMILES

CCCCNC(=C(C(=O)C1=CC=C(C=C1)OC)[N+]2=CC=CC=C2)S

InChI

InChI=1S/C19H22N2O2S/c1-3-4-12-20-19(24)17(21-13-6-5-7-14-21)18(22)15-8-10-16(23-2)11-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H-,20,22,24)/p+1