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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]ethyl]ammonium Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-27(2)23(21-11-7-4-8-12-21)19-26-25(30)22-15-17-28(18-16-22)24(29)14-13-20-9-5-3-6-10-20/h3-14,22-23H,15-19H2,1-2H3,(H,26,30)/p+1/b14-13+/t23-/m1/s1