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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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