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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+]2CCCC2C3=CC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CN3C

InChI

InChI=1S/C21H27N3O5/c1-5-28-21(27)19-18(13(2)25)14(3)29-20(19)22-17(26)12-24-11-7-9-16(24)15-8-6-10-23(15)4/h6,8,10,16H,5,7,9,11-12H2,1-4H3,(H,22,26)/p+1/t16-/m1/s1