3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[2-(2-phenylethynyl)benzyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C27H33N2O+ MolecularWeight: 401.56372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC3=CC=CC=C3C#CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CC=C3C#CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O/c30-27(29-19-6-7-20-29)17-15-24-11-8-18-28(21-24)22-26-13-5-4-12-25(26)16-14-23-9-2-1-3-10-23/h1-5,9-10,12-13,24H,6-8,11,15,17-22H2/p+1/t24-/m1/s1