ethyl 2-(2-piperazin-1-ium-1-ylethanoylamino)benzoate

Systemtic Name: ethyl 2-(2-piperazin-1-ium-1-ylethanoylamino)benzoate Openeye Name: ethyl 2-[(2-piperazin-1-ium-1-ylacetyl)amino]benzoate CAS Name: 2-[[1-oxo-2-(1-piperazin-1-iumyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-piperazin-1-ium-1-ylacetyl)amino]benzoate Traditional Name: 2-[(2-piperazin-1-ium-1-ylacetyl)amino]benzoic acid ethyl ester Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCNCC2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCNCC2

InChI

InChI=1S/C15H21N3O3/c1-2-21-15(20)12-5-3-4-6-13(12)17-14(19)11-18-9-7-16-8-10-18/h3-6,16H,2,7-11H2,1H3,(H,17,19)/p+1