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

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c27-23(28)22(20-17-24-21-11-5-4-10-19(20)21)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11,17,22,24H,12-16H2,(H,27,28)/b9-6+/t22-/m1/s1