(2S)-3-phenyl-2-[[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]carbonylamino]propanoate

Systemtic Name: (2S)-3-phenyl-2-[[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]carbonylamino]propanoate Openeye Name: (2S)-3-phenyl-2-[[4-[(E)-styryl]piperazin-4-ium-1-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[4-[(E)-2-phenylethenyl]-1-piperazin-4-iumyl]methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-3-phenyl-2-[[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[4-[(E)-styryl]piperazin-4-ium-1-carbonyl]amino]propionate Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C=CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1/C=C/C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H25N3O3/c26-21(27)20(17-19-9-5-2-6-10-19)23-22(28)25-15-13-24(14-16-25)12-11-18-7-3-1-4-8-18/h1-12,20H,13-17H2,(H,23,28)(H,26,27)/b12-11+/t20-/m0/s1