4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-(2-thienyl)oxazole CAS Name: 4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-(2-thienyl)oxazole Formula: C17H20N4OS+2 MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H18N4OS/c1-2-6-18-16(5-1)21-9-7-20(8-10-21)12-14-13-22-17(19-14)15-4-3-11-23-15/h1-6,11,13H,7-10,12H2/p+2