methyl 4,5-dimethoxy-2-(2-piperazine-1,4-diium-1-ylethanoylamino)benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-(2-piperazine-1,4-diium-1-ylethanoylamino)benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(2-piperazine-1,4-diium-1-ylacetyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-(1-piperazine-1,4-diiumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(2-piperazine-1,4-diium-1-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[(2-piperazine-1,4-diium-1-ylacetyl)amino]benzoic acid methyl ester Formula: C16H25N3O5+2 MolecularWeight: 339.3868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C[NH+]2CC[NH2+]CC2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C[NH+]2CC[NH2+]CC2)OC

InChI

InChI=1S/C16H23N3O5/c1-22-13-8-11(16(21)24-3)12(9-14(13)23-2)18-15(20)10-19-6-4-17-5-7-19/h8-9,17H,4-7,10H2,1-3H3,(H,18,20)/p+2