ethyl 4-[(2R)-3-[(1S,2S)-2-methylcyclopentyl]oxy-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-[(1S,2S)-2-methylcyclopentyl]oxy-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-[(1S,2S)-2-methylcyclopentoxy]propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-[(1S,2S)-2-methylcyclopentyl]oxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-[(1S,2S)-2-methylcyclopentyl]oxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-[(1S,2S)-2-methylcyclopentoxy]propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H31N2O4+ MolecularWeight: 315.42834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2CCCC2C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](CO[C@H]2CCC[C@@H]2C)O

InChI

InChI=1S/C16H30N2O4/c1-3-21-16(20)18-9-7-17(8-10-18)11-14(19)12-22-15-6-4-5-13(15)2/h13-15,19H,3-12H2,1-2H3/p+1/t13-,14+,15-/m0/s1