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

Systemtic Name: 2-chloranyl-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide Openeye Name: 2-chloro-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide CAS Name: 2-chloro-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide IUPAC Name: 2-chloro-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide Traditional Name: 2-chloro-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide Formula: C13H15ClN3O+ MolecularWeight: 264.7307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O/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)/p+1