1,1-diphenyl-4-pyrrolidin-1-ium-1-yl-but-2-yn-1-ol; hydron; phosphate

Systemtic Name: 1,1-diphenyl-4-pyrrolidin-1-ium-1-yl-but-2-yn-1-ol; hydron; phosphate Openeye Name: 1,1-diphenyl-4-pyrrolidin-1-ium-1-yl-but-2-yn-1-ol; hydron; phosphate CAS Name: 1,1-diphenyl-4-(1-pyrrolidin-1-iumyl)-2-butyn-1-ol; hydron; phosphate IUPAC Name: 1,1-diphenyl-4-pyrrolidin-1-ium-1-ylbut-2-yn-1-ol; hydron; phosphate Traditional Name: 1,1-diphenyl-4-pyrrolidin-1-ium-1-yl-but-2-yn-1-ol; hydron; phosphate Formula: C20H24NO5P MolecularWeight: 389.382021

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].C1CC[NH+](C1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

[H+].[H+].C1CC[NH+](C1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C20H21NO.H3O4P/c22-20(18-10-3-1-4-11-18,19-12-5-2-6-13-19)14-9-17-21-15-7-8-16-21;1-5(2,3)4/h1-6,10-13,22H,7-8,15-17H2;(H3,1,2,3,4)