ethyl 1-[(5-ethylfuran-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-ethylfuran-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-ethyl-2-furanyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H29NO3/c1-3-19-10-11-20(26-19)17-23-14-12-22(13-15-23,21(24)25-4-2)16-18-8-6-5-7-9-18/h5-11H,3-4,12-17H2,1-2H3/p+1