(E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-morpholin-4-ylethylamino)-1-(4-phenylphenyl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-morpholin-4-ylethylamino)-1-(4-phenylphenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-morpholinoethylamino)-1-(4-phenylphenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-3-[2-(4-morpholinyl)ethylamino]-1-(4-phenylphenyl)-2-propen-1-one IUPAC Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-morpholin-4-ylethylamino)-1-(4-phenylphenyl)-3-sulfanylprop-2-en-1-one Traditional Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-3-(2-morpholinoethylamino)-1-(4-phenylphenyl)prop-2-en-1-one Formula: C30H36N3O2S+ MolecularWeight: 502.69074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NCCN2CCOCC2)S)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)/C(=C(\NCCN2CCOCC2)/S)/C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O2S/c1-30(2,3)26-13-16-33(17-14-26)27(29(36)31-15-18-32-19-21-35-22-20-32)28(34)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-14,16-17H,15,18-22H2,1-3H3,(H-,31,34,36)/p+1