4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2,2-diphenylethanoate chloride

Systemtic Name: 4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2,2-diphenylethanoate chloride Openeye Name: 4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic acid 4-(1-pyrrolidin-1-iumyl)but-2-ynyl ester chloride IUPAC Name: 4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid 4-pyrrolidin-1-ium-1-ylbut-2-ynyl ester chloride Formula: C22H24ClNO2 MolecularWeight: 369.88446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO2.ClH/c24-22(25-18-10-9-17-23-15-7-8-16-23)21(19-11-3-1-4-12-19)20-13-5-2-6-14-20;/h1-6,11-14,21H,7-8,15-18H2;1H