(2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)azaniumyl]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)azaniumyl]propanoate Openeye Name: (2S)-2-(benzylammonio)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)ammonio]propanoate IUPAC Name: (2S)-2-(benzylazaniumyl)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-(benzylammonio)-3-(1H-imidazol-5-yl)propionate Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C13H15N3O2/c17-13(18)12(6-11-8-14-9-16-11)15-7-10-4-2-1-3-5-10/h1-5,8-9,12,15H,6-7H2,(H,14,16)(H,17,18)/t12-/m0/s1