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

Systemtic Name: 5-chloranyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Openeye Name: 5-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione CAS Name: 5-chloro-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 5-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Traditional Name: 5-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Formula: C17H19ClN4S2+2 MolecularWeight: 378.94256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Cl)SC2=S)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Cl)SC2=S)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H17ClN4S2/c18-13-4-5-15-14(11-13)22(17(23)24-15)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2/p+2