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

Systemtic Name: N-[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(R)-(4-fluorophenyl)-(2-thienyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(R)-(4-fluorophenyl)-(2-thienyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H25FN4OS+2 MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4OS/c23-18-8-6-17(7-9-18)22(19-4-3-15-29-19)25-21(28)16-26-11-13-27(14-12-26)20-5-1-2-10-24-20/h1-10,15,22H,11-14,16H2,(H,25,28)/p+2/t22-/m1/s1