N-[1-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide

Systemtic Name: N-[1-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide Openeye Name: N-[1-[(2S)-2-hydroxy-2-phenyl-ethyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide CAS Name: N-[1-[(2S)-2-hydroxy-2-phenylethyl]-4-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-yl]-N-phenylpropanamide Traditional Name: N-[1-[(2S)-2-hydroxy-2-phenyl-ethyl]piperidin-1-ium-4-yl]-N-phenyl-propionamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC[NH+](CC1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(C1CC[NH+](CC1)C[C@H](C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18/h3-12,20-21,25H,2,13-17H2,1H3/p+1/t21-/m1/s1