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

Systemtic Name: 3-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-ethoxypropylamino)-3-mercapto-1-(4-methoxyphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-ethoxypropylamino)-3-mercapto-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-3-25-15-7-12-21-20(26)18(22-13-5-4-6-14-22)19(23)16-8-10-17(24-2)11-9-16/h4-6,8-11,13-14H,3,7,12,15H2,1-2H3,(H-,21,23,26)/p+1