N-[[(2R)-oxolan-2-yl]methyl]-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(E)-3-phenylprop-2-enoyl]-4-piperidyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-1-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(E)-3-phenylacryloyl]-4-piperidyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H35N3O3/c29-24(9-8-20-5-2-1-3-6-20)28-16-12-22(13-17-28)27-14-10-21(11-15-27)25(30)26-19-23-7-4-18-31-23/h1-3,5-6,8-9,21-23H,4,7,10-19H2,(H,26,30)/p+1/b9-8+/t23-/m1/s1