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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(2-allylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(2-allylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC=CC=C2CC=C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC=CC=C2CC=C)O

InChI

InChI=1S/C19H28N2O4/c1-3-7-16-8-5-6-9-18(16)25-15-17(22)14-20-10-12-21(13-11-20)19(23)24-4-2/h3,5-6,8-9,17,22H,1,4,7,10-15H2,2H3/p+1/t17-/m1/s1