N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)Cl)C

InChI

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