N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxy-acetamide CAS Name: N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]-2-phenoxyacetamide IUPAC Name: N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide Traditional Name: N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxy-acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3/c25-19(16-27-18-4-2-1-3-5-18)22-14-20(26)24-12-10-23(11-13-24)15-17-6-8-21-9-7-17/h1-9H,10-16H2,(H,22,25)/p+1