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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O/c22-20-8-4-7-19(15-20)16-24-11-13-25(14-12-24)17-21(26)23-10-9-18-5-2-1-3-6-18/h1-8,15H,9-14,16-17H2,(H,23,26)/p+1