N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methyl-benzamide chloride

Systemtic Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methyl-benzamide chloride Openeye Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methyl-benzamide chloride CAS Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methylbenzamide chloride IUPAC Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methylbenzamide chloride Traditional Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methyl-benzamide chloride Formula: C14H18ClN3O MolecularWeight: 279.76522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCC[NH+]2C=CN=C2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCC[NH+]2C=CN=C2.[Cl-]

InChI

InChI=1S/C14H17N3O.ClH/c1-12-3-5-13(6-4-12)14(18)16-7-2-9-17-10-8-15-11-17;/h3-6,8,10-11H,2,7,9H2,1H3,(H,16,18);1H