(E)-1,1-diphenyl-4-pyrrolidin-1-ium-1-yl-but-3-en-2-one chloride

Systemtic Name: (E)-1,1-diphenyl-4-pyrrolidin-1-ium-1-yl-but-3-en-2-one chloride Openeye Name: (E)-1,1-diphenyl-4-pyrrolidin-1-ium-1-yl-but-3-en-2-one chloride CAS Name: (E)-1,1-diphenyl-4-(1-pyrrolidin-1-iumyl)-3-buten-2-one chloride IUPAC Name: (E)-1,1-diphenyl-4-pyrrolidin-1-ium-1-ylbut-3-en-2-one chloride Traditional Name: (E)-1,1-diphenyl-4-pyrrolidin-1-ium-1-yl-but-3-en-2-one chloride Formula: C20H22ClNO MolecularWeight: 327.84778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO.ClH/c22-19(13-16-21-14-7-8-15-21)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-6,9-13,16,20H,7-8,14-15H2;1H/b16-13+;