[4-(2-azanylethanoylamino)phenyl]-bis(2-chloroethyl)azanium chloride

Systemtic Name: [4-(2-azanylethanoylamino)phenyl]-bis(2-chloroethyl)azanium chloride Openeye Name: [4-[(2-aminoacetyl)amino]phenyl]-bis(2-chloroethyl)ammonium chloride CAS Name: [4-[(2-amino-1-oxoethyl)amino]phenyl]-bis(2-chloroethyl)ammonium chloride IUPAC Name: [4-[(2-aminoacetyl)amino]phenyl]-bis(2-chloroethyl)azanium chloride Traditional Name: bis(2-chloroethyl)-[4-(glycylamino)phenyl]ammonium chloride Formula: C12H18Cl3N3O MolecularWeight: 326.64982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CN)[NH+](CCCl)CCCl.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CN)[NH+](CCCl)CCCl.[Cl-]

InChI

InChI=1S/C12H17Cl2N3O.ClH/c13-5-7-17(8-6-14)11-3-1-10(2-4-11)16-12(18)9-15;/h1-4H,5-9,15H2,(H,16,18);1H