ethyl 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate

Systemtic Name: ethyl 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-5-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C18H26N2O5/c1-4-24-18(23)16-15(12(2)21)13(3)25-17(16)19-14(22)11-20-9-7-5-6-8-10-20/h4-11H2,1-3H3,(H,19,22)/p+1