2-[4-(2-chloranylethanoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-chloranylethanoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-(2-chloro-1-oxoethyl)-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCl

InChI

InChI=1S/C16H22ClN3O2/c1-12-4-3-5-13(2)16(12)18-14(21)11-19-6-8-20(9-7-19)15(22)10-17/h3-5H,6-11H2,1-2H3,(H,18,21)/p+1