methyl 2-[2-(azepan-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(azepan-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C14H20N2O3S/c1-19-14(18)11-6-9-20-13(11)15-12(17)10-16-7-4-2-3-5-8-16/h6,9H,2-5,7-8,10H2,1H3,(H,15,17)/p+1