ethyl 1-[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-(1-naphthoxy)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H28NO4+ MolecularWeight: 358.45132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC3=CC=CC=C32)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C21H27NO4/c1-2-25-21(24)17-10-12-22(13-11-17)14-18(23)15-26-20-9-5-7-16-6-3-4-8-19(16)20/h3-9,17-18,23H,2,10-15H2,1H3/p+1/t18-/m0/s1