(2R)-2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-[(2-cyanophenyl)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(2-cyanobenzyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N)CC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N4O/c21-14-17-8-4-5-9-18(17)15-23-10-12-24(13-11-23)19(20(22)25)16-6-2-1-3-7-16/h1-9,19H,10-13,15H2,(H2,22,25)/p+1/t19-/m1/s1