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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H18N4OS/c23-17-21(14-5-1-2-6-15(14)22-17)13-19-9-11-20(12-10-19)16-7-3-4-8-18-16/h1-8H,9-13H2/p+2