methyl 4-(2-piperazine-1,4-diium-1-ylethanoylamino)benzoate

Systemtic Name: methyl 4-(2-piperazine-1,4-diium-1-ylethanoylamino)benzoate Openeye Name: methyl 4-[(2-piperazine-1,4-diium-1-ylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(1-piperazine-1,4-diiumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-piperazine-1,4-diium-1-ylacetyl)amino]benzoate Traditional Name: 4-[(2-piperazine-1,4-diium-1-ylacetyl)amino]benzoic acid methyl ester Formula: C14H21N3O3+2 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH2+]CC2

InChI

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