2-azaniumylethylazanium; (2R)-2-bromanyl-3-phenyl-propanoate

Systemtic Name: 2-azaniumylethylazanium; (2R)-2-bromanyl-3-phenyl-propanoate Openeye Name: 2-azaniumylethylammonium; (2R)-2-bromo-3-phenyl-propanoate CAS Name: 2-ammonioethylammonium; (2R)-2-bromo-3-phenylpropanoate IUPAC Name: 2-azaniumylethylazanium; (2R)-2-bromo-3-phenylpropanoate Traditional Name: 2-ammonioethylammonium; (2R)-2-bromo-3-phenyl-propionate Formula: C20H26Br2N2O4 MolecularWeight: 518.23944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])Br.C1=CC=C(C=C1)CC(C(=O)[O-])Br.C(C[NH3+])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])Br.C1=CC=C(C=C1)C[C@H](C(=O)[O-])Br.C(C[NH3+])[NH3+]

InChI

InChI=1S/2C9H9BrO2.C2H8N2/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;3-1-2-4/h2*1-5,8H,6H2,(H,11,12);1-4H2/t2*8-;/m11./s1