2-chloranyl-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide chloride

Systemtic Name: 2-chloranyl-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide chloride Openeye Name: 2-chloro-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide chloride CAS Name: 2-chloro-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide chloride IUPAC Name: 2-chloro-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide chloride Traditional Name: 2-chloro-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide chloride Formula: C13H15Cl2N3O MolecularWeight: 300.1837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC[NH+]2C=CN=C2)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC[NH+]2C=CN=C2)Cl.[Cl-]

InChI

InChI=1S/C13H14ClN3O.ClH/c14-12-5-2-1-4-11(12)13(18)16-6-3-8-17-9-7-15-10-17;/h1-2,4-5,7,9-10H,3,6,8H2,(H,16,18);1H