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

Systemtic Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(R)-phenyl(2-thienyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(R)-phenyl(2-thienyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H26N4OS+2 MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(C2=CC=CC=C2)C3=CC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N[C@H](C2=CC=CC=C2)C3=CC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H24N4OS/c27-21(17-25-12-14-26(15-13-25)20-10-4-5-11-23-20)24-22(19-9-6-16-28-19)18-7-2-1-3-8-18/h1-11,16,22H,12-15,17H2,(H,24,27)/p+2/t22-/m1/s1