N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C28H36N3O3+ MolecularWeight: 462.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H35N3O3/c1-22-7-10-24(11-8-22)26(21-30-17-19-34-20-18-30)29-28(33)25-13-15-31(16-14-25)27(32)12-9-23-5-3-2-4-6-23/h2-12,25-26H,13-21H2,1H3,(H,29,33)/p+1/b12-9+/t26-/m0/s1