diethyl-[(1S)-1-phenyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]ethyl]ammonium Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H35N3O2/c1-3-29(4-2)25(23-13-9-6-10-14-23)21-28-27(32)24-17-19-30(20-18-24)26(31)16-15-22-11-7-5-8-12-22/h5-16,24-25H,3-4,17-21H2,1-2H3,(H,28,32)/p+1/b16-15+/t25-/m1/s1