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

Systemtic Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-(3-thienyl)thiazole Formula: C17H20N4S2+2 MolecularWeight: 344.4975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4S2/c1-2-5-18-16(3-1)21-8-6-20(7-9-21)11-15-13-23-17(19-15)14-4-10-22-12-14/h1-5,10,12-13H,6-9,11H2/p+2