ethyl 4-[(2S)-2-oxidanyl-3-(4-propylphenoxy)propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-oxidanyl-3-(4-propylphenoxy)propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H31N2O4+ MolecularWeight: 351.46044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C(=O)OCC)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C(=O)OCC)O

InChI

InChI=1S/C19H30N2O4/c1-3-5-16-6-8-18(9-7-16)25-15-17(22)14-20-10-12-21(13-11-20)19(23)24-4-2/h6-9,17,22H,3-5,10-15H2,1-2H3/p+1/t17-/m0/s1