ethyl 4-[(2R)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-4-23-18(22)20-7-5-19(6-8-20)12-16(21)13-24-17-10-14(2)9-15(3)11-17/h9-11,16,21H,4-8,12-13H2,1-3H3/p+1/t16-/m1/s1