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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H22N4O2/c1-15(20(26)22-17-8-6-16(14-21)7-9-17)23-10-12-24(13-11-23)18-4-2-3-5-19(18)25/h2-9,15,25H,10-13H2,1H3,(H,22,26)/p+1/t15-/m1/s1