methyl 4-[(2S)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2S)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzoate CAS Name: 4-[(2S)-2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzoate Traditional Name: 4-[(2S)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzoic acid methyl ester Formula: C17H28N2O5+2 MolecularWeight: 340.41462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)CCO)O

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5/c1-23-17(22)14-2-4-16(5-3-14)24-13-15(21)12-19-8-6-18(7-9-19)10-11-20/h2-5,15,20-21H,6-13H2,1H3/p+2/t15-/m0/s1