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

Systemtic Name: ethyl 4-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-indan-5-yloxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-indan-5-yloxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC3=C(CCC3)C=C2)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC3=C(CCC3)C=C2)O

InChI

InChI=1S/C19H28N2O4/c1-2-24-19(23)21-10-8-20(9-11-21)13-17(22)14-25-18-7-6-15-4-3-5-16(15)12-18/h6-7,12,17,22H,2-5,8-11,13-14H2,1H3/p+1/t17-/m1/s1