N-cyclopropyl-3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-cyclopropyl-3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-cyclopropyl-3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-cyclopropyl-3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-cyclopropyl-3-[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-cyclopropyl-3-[(3R)-1-[2-(2-phenylethynyl)benzyl]piperidin-1-ium-3-yl]propionamide Formula: C26H31N2O+ MolecularWeight: 387.53714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2C#CC3=CC=CC=C3)CCC(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2C#CC3=CC=CC=C3)CCC(=O)NC4CC4

InChI

InChI=1S/C26H30N2O/c29-26(27-25-15-16-25)17-13-22-9-6-18-28(19-22)20-24-11-5-4-10-23(24)14-12-21-7-2-1-3-8-21/h1-5,7-8,10-11,22,25H,6,9,13,15-20H2,(H,27,29)/p+1/t22-/m1/s1