ethyl (3S)-1-[(2R)-3-cyclohexyloxy-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-3-cyclohexyloxy-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-3-(cyclohexoxy)-2-hydroxy-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2R)-3-(cyclohexoxy)-2-hydroxy-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H32NO4+ MolecularWeight: 314.44028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(COC2CCCCC2)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C[C@H](COC2CCCCC2)O

InChI

InChI=1S/C17H31NO4/c1-2-21-17(20)14-7-6-10-18(11-14)12-15(19)13-22-16-8-4-3-5-9-16/h14-16,19H,2-13H2,1H3/p+1/t14-,15+/m0/s1