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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C16H23N4O2+ MolecularWeight: 303.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2/c1-18(8-2-7-17)16(22)13-19-9-11-20(12-10-19)14-3-5-15(21)6-4-14/h3-6,21H,2,8-13H2,1H3/p+1