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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-tert-butylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-tert-butylphenyl)-3-(ethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-tert-butylphenyl)-3-(ethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-tert-butylphenyl)-3-(ethylamino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2OS/c1-5-21-19(24)17(22-13-7-6-8-14-22)18(23)15-9-11-16(12-10-15)20(2,3)4/h6-14H,5H2,1-4H3,(H-,21,23,24)/p+1