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

Systemtic Name: 3-(ethylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(ethylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(ethylamino)-3-mercapto-1-(4-methoxyphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(ethylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(ethylamino)-3-mercapto-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C17H19N2O2S+ MolecularWeight: 315.40996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-3-18-17(22)15(19-11-5-4-6-12-19)16(20)13-7-9-14(21-2)10-8-13/h4-12H,3H2,1-2H3,(H-,18,20,22)/p+1