2-(4-chloranylphenoxy)-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-2-(4-chlorophenoxy)acetamide CAS Name: 2-(4-chlorophenoxy)-N-[2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-2-(4-chlorophenoxy)acetamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-2-(4-chlorophenoxy)acetamide Formula: C26H27ClN3O3+ MolecularWeight: 464.96388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O3/c27-21-10-12-22(13-11-21)33-19-25(31)28-24-9-5-4-8-23(24)26(32)30-16-14-29(15-17-30)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,31)/p+1