2-[4-[2-(4-cyano-2-ethoxy-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-(4-cyano-2-ethoxy-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(4-cyano-2-ethoxy-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-(4-cyano-2-ethoxyphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(4-cyano-2-ethoxyphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-(4-cyano-2-ethoxy-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C

InChI

InChI=1S/C20H28N4O4/c1-4-27-18-11-16(12-21)5-6-17(18)28-14-20(26)24-9-7-23(8-10-24)13-19(25)22-15(2)3/h5-6,11,15H,4,7-10,13-14H2,1-3H3,(H,22,25)/p+1