methyl 5-[(1S)-1-(4-benzamidopiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1S)-1-(4-benzamidopiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1S)-1-(4-benzamidopiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-(4-benzamido-1-piperidin-1-iumyl)ethyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1S)-1-(4-benzamidopiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-(4-benzamidopiperidin-1-ium-1-yl)ethyl]furan-2-carboxylic acid methyl ester Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)OC)[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)OC)[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4/c1-14(17-8-9-18(26-17)20(24)25-2)22-12-10-16(11-13-22)21-19(23)15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1