2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C21H26ClN3O/c1-15-7-8-18(22)13-19(15)25-11-9-24(10-12-25)14-20(26)23-21-16(2)5-4-6-17(21)3/h4-8,13H,9-12,14H2,1-3H3,(H,23,26)/p+1