1-(5-chloranylthiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(naphthalen-1-ylamino)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(naphthalen-1-ylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(1-naphthylamino)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-mercapto-3-(1-naphthalenylamino)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(naphthalen-1-ylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-mercapto-2-(3-methylolpyridin-1-ium-1-yl)-3-(1-naphthylamino)prop-2-en-1-one Formula: C23H18ClN2O2S2+ MolecularWeight: 453.98422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=C(C(=O)C3=CC=C(S3)Cl)[N+]4=CC=CC(=C4)CO)S

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=C(C(=O)C3=CC=C(S3)Cl)[N+]4=CC=CC(=C4)CO)S

InChI

InChI=1S/C23H17ClN2O2S2/c24-20-11-10-19(30-20)22(28)21(26-12-4-5-15(13-26)14-27)23(29)25-18-9-3-7-16-6-1-2-8-17(16)18/h1-13,27H,14H2,(H-,25,28,29)/p+1