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

Systemtic Name: (2S)-2-(5-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-(5-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-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-(5-methyl-1H-indol-3-yl)acetate Formula: C24H27N3O2 MolecularWeight: 389.49008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-18-9-10-22-20(16-18)21(17-25-22)23(24(28)29)27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16-17,23,25H,11-15H2,1H3,(H,28,29)/b8-5+/t23-/m0/s1