N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piazthiole-4-carboxamide Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H19N5OS/c1-22-9-11-23(12-10-22)14-7-5-13(6-8-14)19-18(24)15-3-2-4-16-17(15)21-25-20-16/h2-8H,9-12H2,1H3,(H,19,24)/p+1