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

Systemtic Name: ethyl 4-[(2R)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H33N2O5+ MolecularWeight: 381.48642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COCCOC2=CC(=C(C=C2)C)C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COCCOC2=CC(=C(C=C2)C)C)O

InChI

InChI=1S/C20H32N2O5/c1-4-26-20(24)22-9-7-21(8-10-22)14-18(23)15-25-11-12-27-19-6-5-16(2)17(3)13-19/h5-6,13,18,23H,4,7-12,14-15H2,1-3H3/p+1/t18-/m1/s1