methyl 4-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoic acid methyl ester Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-17-7-9-18(10-8-17)11-14(19)12-22-15-5-3-13(4-6-15)16(20)21-2/h3-6,14,19H,7-12H2,1-2H3/p+1/t14-/m1/s1