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

Systemtic Name: (2S)-2-[4-[(S)-oxidanyl(phenyl)methyl]piperidin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2S)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2S)-2-[4-[(S)-hydroxy(phenyl)methyl]-1-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2S)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2S)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCC(CC2)C(C3=CC=CC=C3)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)[NH+]2CCC(CC2)[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C21H26N2O2/c1-16(21(25)22-19-10-6-3-7-11-19)23-14-12-18(13-15-23)20(24)17-8-4-2-5-9-17/h2-11,16,18,20,24H,12-15H2,1H3,(H,22,25)/p+1/t16-,20+/m0/s1