ethyl 4-[(2R)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26ClN2O4+ MolecularWeight: 357.85234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O4/c1-3-23-17(22)20-8-6-19(7-9-20)11-14(21)12-24-15-4-5-16(18)13(2)10-15/h4-5,10,14,21H,3,6-9,11-12H2,1-2H3/p+1/t14-/m1/s1