2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(5-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(5-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(5-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-N-(5-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(5-chloro-2-methylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(5-chloro-2-methyl-phenyl)acetamide Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21ClN4OS/c1-14-6-7-15(21)12-17(14)22-19(26)13-24-8-10-25(11-9-24)20-23-16-4-2-3-5-18(16)27-20/h2-7,12H,8-11,13H2,1H3,(H,22,26)/p+1