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

Systemtic Name: methyl 4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H27N3O3+2 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-27-21(26)18-7-9-19(10-8-18)22-20(25)16-24-13-11-23(12-14-24)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,25)/p+2