(2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetate Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)[O-])[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CN2)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-18(30)27-20-9-10-21-22(17-26-23(21)16-20)24(25(31)32)29-14-12-28(13-15-29)11-5-8-19-6-3-2-4-7-19/h2-10,16-17,24,26H,11-15H2,1H3,(H,27,30)(H,31,32)/b8-5+/t24-/m0/s1