N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide CAS Name: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-methylpiazthiol-4-yl)acetamide Formula: C20H24N5OS+ MolecularWeight: 382.50246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c1-15-7-8-17-20(23-27-22-17)19(15)21-18(26)14-25-11-9-24(10-12-25)13-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,21,26)/p+1