1,1-diphenyl-5-(3-phenylpyrrolidin-1-ium-1-yl)pent-3-yn-1-ol chloride

Systemtic Name: 1,1-diphenyl-5-(3-phenylpyrrolidin-1-ium-1-yl)pent-3-yn-1-ol chloride Openeye Name: 1,1-diphenyl-5-(3-phenylpyrrolidin-1-ium-1-yl)pent-3-yn-1-ol chloride CAS Name: 1,1-diphenyl-5-(3-phenyl-1-pyrrolidin-1-iumyl)-3-pentyn-1-ol chloride IUPAC Name: 1,1-diphenyl-5-(3-phenylpyrrolidin-1-ium-1-yl)pent-3-yn-1-ol chloride Traditional Name: 1,1-diphenyl-5-(3-phenylpyrrolidin-1-ium-1-yl)pent-3-yn-1-ol chloride Formula: C27H28ClNO MolecularWeight: 417.97032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2=CC=CC=C2)CC#CCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1C[NH+](CC1C2=CC=CC=C2)CC#CCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C27H27NO.ClH/c29-27(25-14-6-2-7-15-25,26-16-8-3-9-17-26)19-10-11-20-28-21-18-24(22-28)23-12-4-1-5-13-23;/h1-9,12-17,24,29H,18-22H2;1H