[(2S)-1-oxidanylidene-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]ammonium Formula: C22H29N3O+2 MolecularWeight: 351.48516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C22H27N3O/c23-21(18-20-10-5-2-6-11-20)22(26)25-16-14-24(15-17-25)13-7-12-19-8-3-1-4-9-19/h1-12,21H,13-18,23H2/p+2/b12-7+/t21-/m0/s1