methyl 4-[2-[4-(furan-2-ylcarbonylamino)piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(furan-2-ylcarbonylamino)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(furan-2-carbonylamino)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[[2-furanyl(oxo)methyl]amino]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(furan-2-carbonylamino)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-furoylamino)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H23N3O5/c1-27-20(26)14-4-6-15(7-5-14)21-18(24)13-23-10-8-16(9-11-23)22-19(25)17-3-2-12-28-17/h2-7,12,16H,8-11,13H2,1H3,(H,21,24)(H,22,25)/p+1