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

Systemtic Name: 6-chloranyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 6-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 6-chloro-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 6-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 6-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Formula: C17H19ClN4OS+2 MolecularWeight: 362.87696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=S)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=S)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H17ClN4OS/c18-13-4-5-14-15(11-13)23-17(24)22(14)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2/p+2