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

Systemtic Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-piazthiol-5-yl-acetamide Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=NSN=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H21N5O2S/c1-26-16-4-2-3-15(12-16)24-9-7-23(8-10-24)13-19(25)20-14-5-6-17-18(11-14)22-27-21-17/h2-6,11-12H,7-10,13H2,1H3,(H,20,25)/p+1