ethyl 1-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-hydroxy-3-indan-5-yloxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-2-hydroxy-3-indan-5-yloxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H30NO4+ MolecularWeight: 348.4565

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC2=CC3=C(CCC3)C=C2)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COC2=CC3=C(CCC3)C=C2)O

InChI

InChI=1S/C20H29NO4/c1-2-24-20(23)16-8-10-21(11-9-16)13-18(22)14-25-19-7-6-15-4-3-5-17(15)12-19/h6-7,12,16,18,22H,2-5,8-11,13-14H2,1H3/p+1/t18-/m1/s1