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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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