methyl 4-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C16H25N3O4+2 MolecularWeight: 323.3874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-23-16(22)13-2-4-14(5-3-13)17-15(21)12-19-8-6-18(7-9-19)10-11-20/h2-5,20H,6-12H2,1H3,(H,17,21)/p+2