(1S)-1-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: (1S)-1-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanol Openeye Name: (1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-(4-nitrophenyl)ethanol CAS Name: (1S)-1-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: (1S)-1-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanol Traditional Name: (1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-(4-nitrophenyl)ethanol Formula: C21H26N3O3+ MolecularWeight: 368.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c25-21(19-8-10-20(11-9-19)24(26)27)17-23-15-13-22(14-16-23)12-4-7-18-5-2-1-3-6-18/h1-11,21,25H,12-17H2/p+1/b7-4+/t21-/m1/s1