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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C21H24N4O2/c22-11-6-12-25(18-7-2-1-3-8-18)21(27)17-23-13-15-24(16-14-23)19-9-4-5-10-20(19)26/h1-5,7-10,26H,6,12-17H2/p+1