N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(R)-phenyl(2-thienyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(R)-phenyl(2-thienyl)methyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(C2=CC=CC=C2)C3=CC=CS3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N[C@H](C2=CC=CC=C2)C3=CC=CS3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5OS/c27-19(16-25-11-13-26(14-12-25)21-22-9-5-10-23-21)24-20(18-8-4-15-28-18)17-6-2-1-3-7-17/h1-10,15,20H,11-14,16H2,(H,24,27)/p+1/t20-/m1/s1