methyl 3-(2-piperazin-1-ium-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-(2-piperazin-1-ium-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[(2-piperazin-1-ium-1-ylacetyl)amino]benzoate CAS Name: 3-[[1-oxo-2-(1-piperazin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-piperazin-1-ium-1-ylacetyl)amino]benzoate Traditional Name: 3-[(2-piperazin-1-ium-1-ylacetyl)amino]benzoic acid methyl ester Formula: C14H20N3O3+ MolecularWeight: 278.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCNCC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCNCC2

InChI

InChI=1S/C14H19N3O3/c1-20-14(19)11-3-2-4-12(9-11)16-13(18)10-17-7-5-15-6-8-17/h2-4,9,15H,5-8,10H2,1H3,(H,16,18)/p+1