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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2/c1-27(2)19-23-11-7-6-10-22(23)18-26-25(30)21-14-16-28(17-15-21)24(29)13-12-20-8-4-3-5-9-20/h3-13,21H,14-19H2,1-2H3,(H,26,30)/p+1/b13-12+