N-(2-cyanophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-cyanophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2-cyanophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-cyanophenyl)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-cyanophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-cyanophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C#N)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C#N)C3=CC=CC=C3O

InChI

InChI=1S/C20H22N4O2/c21-15-16-5-1-2-6-17(16)22-20(26)9-10-23-11-13-24(14-12-23)18-7-3-4-8-19(18)25/h1-8,25H,9-14H2,(H,22,26)/p+1