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

Systemtic Name: methyl 2-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H29N3O4+2 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-28-22(27)19-9-5-6-10-20(19)23-21(26)17-25-13-11-24(12-14-25)15-16-29-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,23,26)/p+2