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

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Formula: C17H20N4S+2 MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H18N4S/c1-2-6-15-14(5-1)19-17(22-15)13-20-9-11-21(12-10-20)16-7-3-4-8-18-16/h1-8H,9-13H2/p+2