methyl 2-[[2-(2-piperidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[2-(2-piperidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]benzoate Traditional Name: 2-[[2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]benzoic acid methyl ester Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H27N3O4S/c1-30-23(29)15-8-3-4-10-17(15)24-21(28)20-16-9-7-11-18(16)31-22(20)25-19(27)14-26-12-5-2-6-13-26/h3-4,8,10H,2,5-7,9,11-14H2,1H3,(H,24,28)(H,25,27)/p+1