N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-acetamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methyl-1-piperazin-4-iumyl)-2-oxoacetamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-keto-2-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O2S/c1-23-10-12-24(13-11-23)20(26)18(25)21-15-8-6-14(7-9-15)19-22-16-4-2-3-5-17(16)27-19/h2-9H,10-13H2,1H3,(H,21,25)/p+1