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

Systemtic Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-2-methyl-benzamide chloride Openeye Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-2-methyl-benzamide chloride CAS Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-2-methylbenzamide chloride IUPAC Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-2-methylbenzamide chloride Traditional Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-2-methyl-benzamide chloride Formula: C14H18ClN3O MolecularWeight: 279.76522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC[NH+]2C=CN=C2.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC[NH+]2C=CN=C2.[Cl-]

InChI

InChI=1S/C14H17N3O.ClH/c1-12-5-2-3-6-13(12)14(18)16-7-4-9-17-10-8-15-11-17;/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,16,18);1H