2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C25H27N3O2/c29-24-13-7-6-12-23(24)28-16-14-27(15-17-28)19-25(30)26-22-11-5-4-10-21(22)18-20-8-2-1-3-9-20/h1-13,29H,14-19H2,(H,26,30)/p+1