methyl 4-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoylamino]benzoate Openeye Name: methyl 4-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoylamino]benzoate CAS Name: 4-[[3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoylamino]benzoate Traditional Name: 4-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoylamino]benzoic acid methyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-24-17(23)14-2-4-15(5-3-14)18-16(22)6-7-19-8-10-20(11-9-19)12-13-21/h2-5,21H,6-13H2,1H3,(H,18,22)/p+1