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

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-chlorobenzyl)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)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O/c1-16-4-3-5-17(2)21(16)23-20(26)15-25-12-10-24(11-13-25)14-18-6-8-19(22)9-7-18/h3-9H,10-15H2,1-2H3,(H,23,26)/p+1