N-(4-phenylmethoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-phenylmethoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-phenylmethoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C24H28N4O2+2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H26N4O2/c29-24(18-27-14-16-28(17-15-27)23-8-4-5-13-25-23)26-21-9-11-22(12-10-21)30-19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,26,29)/p+2