ethyl 4-aminocarbonyl-2-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C17H26N3O5+ MolecularWeight: 352.40544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)C[NH+]2CCCC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)C[NH+]2CCC[C@H](C2)C)C

InChI

InChI=1S/C17H25N3O5/c1-4-24-17(23)13-11(3)25-16(14(13)15(18)22)19-12(21)9-20-7-5-6-10(2)8-20/h10H,4-9H2,1-3H3,(H2,18,22)(H,19,21)/p+1/t10-/m1/s1