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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5/c1-4-30-24(29)22-21(16(2)27)17(3)31-23(22)25-20(28)15-26-12-10-19(11-13-26)14-18-8-6-5-7-9-18/h5-9,19H,4,10-15H2,1-3H3,(H,25,28)/p+1