2-[4-[2-(4-cyanophenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-(4-cyanophenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-(4-cyanophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H24N4O3/c1-14(2)20-17(23)12-21-7-9-22(10-8-21)18(24)13-25-16-5-3-15(11-19)4-6-16/h3-6,14H,7-10,12-13H2,1-2H3,(H,20,23)/p+1