methyl (2S)-3-(1H-indol-3-yl)-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]propionic acid methyl ester Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-31-24(30)22(15-18-16-25-21-10-6-5-9-20(18)21)26-23(29)17-27-11-13-28(14-12-27)19-7-3-2-4-8-19/h2-10,16,22,25H,11-15,17H2,1H3,(H,26,29)/p+1/t22-/m0/s1