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

Systemtic Name: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H22ClN4O2S+ MolecularWeight: 429.94298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-14(27)15-2-5-17(6-3-15)23-20(28)13-25-8-10-26(11-9-25)21-24-18-12-16(22)4-7-19(18)29-21/h2-7,12H,8-11,13H2,1H3,(H,23,28)/p+1