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

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-18-22(20-11-5-6-12-21(20)25-18)23(24(28)29)27-16-14-26(15-17-27)13-7-10-19-8-3-2-4-9-19/h2-12,23,25H,13-17H2,1H3,(H,28,29)/b10-7+/t23-/m0/s1