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

Systemtic Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetate Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])CC=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c34-30(35)29(33-18-16-32(17-19-33)15-7-12-23-8-3-1-4-9-23)27-21-31-28-14-13-25(20-26(27)28)36-22-24-10-5-2-6-11-24/h1-14,20-21,29,31H,15-19,22H2,(H,34,35)/b12-7+/t29-/m1/s1