propyl 4-[(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propoxy]benzoate

Systemtic Name: propyl 4-[(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: propyl 4-[(2S)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-(4-benzoyl-1-piperazin-1-iumyl)-2-hydroxypropoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[(2S)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxy-propoxy]benzoic acid propyl ester Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C24H30N2O5/c1-2-16-30-24(29)20-8-10-22(11-9-20)31-18-21(27)17-25-12-14-26(15-13-25)23(28)19-6-4-3-5-7-19/h3-11,21,27H,2,12-18H2,1H3/p+1/t21-/m0/s1