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

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)benzyl]piazthiole-5-carboxamide Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5OS/c1-23-8-10-24(11-9-23)16-5-2-14(3-6-16)13-20-19(25)15-4-7-17-18(12-15)22-26-21-17/h2-7,12H,8-11,13H2,1H3,(H,20,25)/p+1