(E)-1-phenyl-4-piperidin-1-ium-1-yl-1-thiophen-2-yl-but-3-en-2-one chloride

Systemtic Name: (E)-1-phenyl-4-piperidin-1-ium-1-yl-1-thiophen-2-yl-but-3-en-2-one chloride Openeye Name: (E)-1-phenyl-4-piperidin-1-ium-1-yl-1-(2-thienyl)but-3-en-2-one chloride CAS Name: (E)-1-phenyl-4-(1-piperidin-1-iumyl)-1-thiophen-2-yl-3-buten-2-one chloride IUPAC Name: (E)-1-phenyl-4-piperidin-1-ium-1-yl-1-thiophen-2-ylbut-3-en-2-one chloride Traditional Name: (E)-1-phenyl-4-piperidin-1-ium-1-yl-1-(2-thienyl)but-3-en-2-one chloride Formula: C19H22ClNOS MolecularWeight: 347.90208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C=CC(=O)C(C2=CC=CC=C2)C3=CC=CS3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CS3.[Cl-]

InChI

InChI=1S/C19H21NOS.ClH/c21-17(11-14-20-12-5-2-6-13-20)19(18-10-7-15-22-18)16-8-3-1-4-9-16;/h1,3-4,7-11,14-15,19H,2,5-6,12-13H2;1H/b14-11+;