ethyl 4-[(2R)-3-(4-methoxy-2-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-(4-methoxy-2-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(2-allyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(4-methoxy-2-prop-2-enylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(4-methoxy-2-prop-2-enylphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(2-allyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H31N2O5+ MolecularWeight: 379.47054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-4-6-16-13-18(25-3)7-8-19(16)27-15-17(23)14-21-9-11-22(12-10-21)20(24)26-5-2/h4,7-8,13,17,23H,1,5-6,9-12,14-15H2,2-3H3/p+1/t17-/m1/s1