2-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[4-methoxy-3-(4-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[4-methoxy-3-(4-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C26H29N4O4+ MolecularWeight: 461.53286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C26H28N4O4/c1-33-23-8-7-21(17-24(23)34-19-20-9-11-27-12-10-20)26(32)30-15-13-29(14-16-30)18-25(31)28-22-5-3-2-4-6-22/h2-12,17H,13-16,18-19H2,1H3,(H,28,31)/p+1