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

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-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=CC(=C1)C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

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