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

Systemtic Name: (2S)-3-phenyl-2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]-3-phenyl-propionate Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c25-20(26)19(15-17-7-3-1-4-8-17)22-21(27)24-13-11-23(12-14-24)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,27)(H,25,26)/t19-/m0/s1