4-[(2R)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: 4-[(2R)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: 4-[(2R)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]benzoate IUPAC Name: 4-[(2R)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzoate Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C(=O)[O-])O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)C(=O)[O-])O

InChI

InChI=1S/C15H22N2O4/c1-16-6-8-17(9-7-16)10-13(18)11-21-14-4-2-12(3-5-14)15(19)20/h2-5,13,18H,6-11H2,1H3,(H,19,20)/p+1/t13-/m1/s1