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

Systemtic Name: 3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-mercapto-3-[2-(4-morpholinyl)ethylamino]-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-mercapto-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)prop-2-en-1-one Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S

Isomeric SMILES

C1COCCN1CCNC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C18H21N3O2S2/c22-17(15-5-4-14-25-15)16(21-7-2-1-3-8-21)18(24)19-6-9-20-10-12-23-13-11-20/h1-5,7-8,14H,6,9-13H2,(H-,19,22,24)/p+1