1-(5-chloranylthiophen-2-yl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-mercapto-3-[2-(4-morpholinyl)ethylamino]-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-mercapto-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C18H21ClN3O2S2+ MolecularWeight: 410.96124

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

C1COCCN1CCNC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C18H20ClN3O2S2/c19-15-5-4-14(26-15)17(23)16(22-7-2-1-3-8-22)18(25)20-6-9-21-10-12-24-13-11-21/h1-5,7-8H,6,9-13H2,(H-,20,23,25)/p+1