(Z)-[[4-(azaniumylmethyl)phenyl]-azanyl-methylidene]-phenylmethoxycarbonyl-azanium dichloride

Systemtic Name: (Z)-[[4-(azaniumylmethyl)phenyl]-azanyl-methylidene]-phenylmethoxycarbonyl-azanium dichloride Openeye Name: (Z)-[amino-[4-(azaniumylmethyl)phenyl]methylene]-benzyloxycarbonyl-ammonium dichloride CAS Name: (Z)-[amino-[4-(ammoniomethyl)phenyl]methylidene]-phenylmethoxycarbonylammonium dichloride IUPAC Name: (Z)-[amino-[4-(azaniumylmethyl)phenyl]methylidene]-phenylmethoxycarbonylazanium dichloride Traditional Name: (Z)-[amino-[4-(ammoniomethyl)phenyl]methylene]-carbobenzoxy-ammonium dichloride Formula: C16H19Cl2N3O2 MolecularWeight: 356.24696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)[NH+]=C(C2=CC=C(C=C2)C[NH3+])N.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/[NH+]=C(/C2=CC=C(C=C2)C[NH3+])\N.[Cl-].[Cl-]

InChI

InChI=1S/C16H17N3O2.2ClH/c17-10-12-6-8-14(9-7-12)15(18)19-16(20)21-11-13-4-2-1-3-5-13;;/h1-9H,10-11,17H2,(H2,18,19,20);2*1H