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

Systemtic Name: (E)-1-phenyl-4-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-but-3-en-2-one chloride Openeye Name: (E)-1-phenyl-4-pyrrolidin-1-ium-1-yl-1-(2-thienyl)but-3-en-2-one chloride CAS Name: (E)-1-phenyl-4-(1-pyrrolidin-1-iumyl)-1-thiophen-2-yl-3-buten-2-one chloride IUPAC Name: (E)-1-phenyl-4-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylbut-3-en-2-one chloride Traditional Name: (E)-1-phenyl-4-pyrrolidin-1-ium-1-yl-1-(2-thienyl)but-3-en-2-one chloride Formula: C18H20ClNOS MolecularWeight: 333.8755

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C=CC(=O)C(C2=CC=CC=C2)C3=CC=CS3.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CS3.[Cl-]

InChI

InChI=1S/C18H19NOS.ClH/c20-16(10-13-19-11-4-5-12-19)18(17-9-6-14-21-17)15-7-2-1-3-8-15;/h1-3,6-10,13-14,18H,4-5,11-12H2;1H/b13-10+;