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

Systemtic Name: methyl (2S)-3-phenyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]propionic acid methyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-28-22(27)20(16-18-8-4-2-5-9-18)23-21(26)17-24-12-14-25(15-13-24)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3,(H,23,26)/p+1/t20-/m0/s1