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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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