4-[(5-nitro-1H-benzimidazol-1-ium-1-yl)methyl]morpholin-4-ium dichloride

Systemtic Name: 4-[(5-nitro-1H-benzimidazol-1-ium-1-yl)methyl]morpholin-4-ium dichloride Openeye Name: 4-[(5-nitro-1H-benzimidazol-1-ium-1-yl)methyl]morpholin-4-ium dichloride CAS Name: 4-[(5-nitro-1H-benzimidazol-1-ium-1-yl)methyl]morpholin-4-ium dichloride IUPAC Name: 4-[(5-nitro-1H-benzimidazol-1-ium-1-yl)methyl]morpholin-4-ium dichloride Traditional Name: 4-[(5-nitro-1H-benzimidazol-1-ium-1-yl)methyl]morpholin-4-ium dichloride Formula: C12H16Cl2N4O3 MolecularWeight: 335.18644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C[NH+]2C=NC3=C2C=CC(=C3)[N+](=O)[O-].[Cl-].[Cl-]

Isomeric SMILES

C1COCC[NH+]1C[NH+]2C=NC3=C2C=CC(=C3)[N+](=O)[O-].[Cl-].[Cl-]

InChI

InChI=1S/C12H14N4O3.2ClH/c17-16(18)10-1-2-12-11(7-10)13-8-15(12)9-14-3-5-19-6-4-14;;/h1-2,7-8H,3-6,9H2;2*1H