N-(2-cyanopropan-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2-cyanopropan-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C17H24N4O2/c1-17(2,13-18)19(3)16(23)12-20-8-10-21(11-9-20)14-6-4-5-7-15(14)22/h4-7,22H,8-12H2,1-3H3/p+1