1-(5-chloranylthiophen-2-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone chloride

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(5-chloro-2-thienyl)ethanone chloride CAS Name: 1-(5-chloro-2-thiophenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone chloride IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(5-chlorothiophen-2-yl)ethanone chloride Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(5-chloro-2-thienyl)ethanone chloride Formula: C18H15Cl2NOS MolecularWeight: 364.2888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(S3)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(S3)Cl.[Cl-]

InChI

InChI=1S/C18H15ClNOS.ClH/c19-18-7-6-17(22-18)16(21)13-20-10-8-15(9-11-20)12-14-4-2-1-3-5-14;/h1-11H,12-13H2;1H/q+1;/p-1