N-[[(3R)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3R)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide Openeye Name: 3-phenyl-N-[[(3R)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methyl]propanamide CAS Name: N-[[(3R)-1-(4-oxanyl)-3-piperidin-1-iumyl]methyl]-3-phenylpropanamide IUPAC Name: N-[[(3R)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methyl]-3-phenylpropanamide Traditional Name: 3-phenyl-N-[[(3R)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methyl]propionamide Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCOCC2)CNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCOCC2)CNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H30N2O2/c23-20(9-8-17-5-2-1-3-6-17)21-15-18-7-4-12-22(16-18)19-10-13-24-14-11-19/h1-3,5-6,18-19H,4,7-16H2,(H,21,23)/p+1/t18-/m1/s1