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

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C20H27N4O5+ MolecularWeight: 403.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5/c1-4-28-20(27)16-12(2)29-19(17(16)18(21)26)22-15(25)11-24-10-6-8-14(24)13-7-5-9-23(13)3/h5,7,9,14H,4,6,8,10-11H2,1-3H3,(H2,21,26)(H,22,25)/p+1/t14-/m0/s1