N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piazthiole-5-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=CC4=NSN=C4C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=NSN=C4C=C3

InChI

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