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

Systemtic Name: 1-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(4-chlorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-mercapto-2-propen-1-one IUPAC Name: 3-anilino-1-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(4-chlorophenyl)-3-mercapto-2-(3-methylolpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C21H18ClN2O2S+ MolecularWeight: 397.89782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O2S/c22-17-10-8-16(9-11-17)20(26)19(24-12-4-5-15(13-24)14-25)21(27)23-18-6-2-1-3-7-18/h1-13,25H,14H2,(H-,23,26,27)/p+1