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

Systemtic Name: methyl 2-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C19H25N3O3S+2 MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C19H23N3O3S/c1-25-19(24)16-6-2-3-7-17(16)20-18(23)14-22-10-8-21(9-11-22)13-15-5-4-12-26-15/h2-7,12H,8-11,13-14H2,1H3,(H,20,23)/p+2