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

Systemtic Name: dimethyl-[(2S)-1-phenyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-phenyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]ethyl]-dimethyl-ammonium Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O2/c1-28(2)24(19-22-11-7-4-8-12-22)20-27-26(31)23-15-17-29(18-16-23)25(30)14-13-21-9-5-3-6-10-21/h3-14,23-24H,15-20H2,1-2H3,(H,27,31)/p+1/b14-13+/t24-/m0/s1