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

Systemtic Name: ethyl 4-[(2S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoic acid ethyl ester Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

InChI

InChI=1S/C23H30N2O5/c1-3-29-23(27)18-8-10-20(11-9-18)30-17-19(26)16-24-12-14-25(15-13-24)21-6-4-5-7-22(21)28-2/h4-11,19,26H,3,12-17H2,1-2H3/p+1/t19-/m0/s1