N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC(=[NH+]C=C2)N3CCOCC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC(=[NH+]C=C2)N3CCOCC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c30-24(7-6-20-4-2-1-3-5-20)29-12-9-22(10-13-29)25(31)27-19-21-8-11-26-23(18-21)28-14-16-32-17-15-28/h1-8,11,18,22H,9-10,12-17,19H2,(H,27,31)/p+1/b7-6+