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

Systemtic Name: ethyl 4-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-3-(4-ethylphenoxy)-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:

CCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C(=O)OCC)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C(=O)OCC)O

InChI

InChI=1S/C18H28N2O4/c1-3-15-5-7-17(8-6-15)24-14-16(21)13-19-9-11-20(12-10-19)18(22)23-4-2/h5-8,16,21H,3-4,9-14H2,1-2H3/p+1/t16-/m0/s1