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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4/c1-3-18(16-8-6-5-7-9-16)25-15-17(22)14-20-10-12-21(13-11-20)19(23)24-4-2/h5-9,17-18,22H,3-4,10-15H2,1-2H3/p+1/t17-,18+/m0/s1