1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(4-ethylphenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-mercapto-2-propen-1-one IUPAC Name: 3-anilino-1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(4-ethylphenyl)-3-mercapto-2-(3-methylolpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC(=C3)CO

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C23H22N2O2S/c1-2-17-10-12-19(13-11-17)22(27)21(25-14-6-7-18(15-25)16-26)23(28)24-20-8-4-3-5-9-20/h3-15,26H,2,16H2,1H3,(H-,24,27,28)/p+1