(2R)-2-(5-bromanyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(5-bromanyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetate Formula: C23H24BrN3O2 MolecularWeight: 454.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)Br)C(=O)[O-])CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)Br)C(=O)[O-])C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H24BrN3O2/c24-18-8-9-21-19(15-18)20(16-25-21)22(23(28)29)27-13-11-26(12-14-27)10-4-7-17-5-2-1-3-6-17/h1-9,15-16,22,25H,10-14H2,(H,28,29)/b7-4+/t22-/m1/s1