2-[4-(2-phenethylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-phenethylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-phenethylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-(2-phenethylphenyl)methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-phenethylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-phenethylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2/c32-27(29-21-24-11-5-2-6-12-24)22-30-17-19-31(20-18-30)28(33)26-14-8-7-13-25(26)16-15-23-9-3-1-4-10-23/h1-14H,15-22H2,(H,29,32)/p+1