N-[4-[(2-azanylethylamino)methyl]phenyl]-2-bromanyl-ethanamide; ethanoic acid

Systemtic Name: N-[4-[(2-azanylethylamino)methyl]phenyl]-2-bromanyl-ethanamide; ethanoic acid Openeye Name: acetic acid; N-[4-[(2-aminoethylamino)methyl]phenyl]-2-bromo-acetamide CAS Name: acetic acid; N-[4-[(2-aminoethylamino)methyl]phenyl]-2-bromoacetamide IUPAC Name: acetic acid; N-[4-[(2-aminoethylamino)methyl]phenyl]-2-bromoacetamide Traditional Name: acetic acid; N-[4-[(2-aminoethylamino)methyl]phenyl]-2-bromo-acetamide Formula: C19H32BrN3O9 MolecularWeight: 526.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C1=CC(=CC=C1CNCCN)NC(=O)CBr

Isomeric SMILES

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C1=CC(=CC=C1CNCCN)NC(=O)CBr

InChI

InChI=1S/C11H16BrN3O.4C2H4O2/c12-7-11(16)15-10-3-1-9(2-4-10)8-14-6-5-13;4*1-2(3)4/h1-4,14H,5-8,13H2,(H,15,16);4*1H3,(H,3,4)