2-piperidin-1-ium-1-ylethyl 2-oxidanyl-3-phenyl-2-(phenylmethyl)propanoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-oxidanyl-3-phenyl-2-(phenylmethyl)propanoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-benzyl-2-hydroxy-3-phenyl-propanoate CAS Name: 2-hydroxy-3-phenyl-2-(phenylmethyl)propanoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-benzyl-2-hydroxy-3-phenylpropanoate Traditional Name: 2-benzyl-2-hydroxy-3-phenyl-propionic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C23H30NO3+ MolecularWeight: 368.4892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O

InChI

InChI=1S/C23H29NO3/c25-22(27-17-16-24-14-8-3-9-15-24)23(26,18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,26H,3,8-9,14-19H2/p+1