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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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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=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-15(26)16-6-8-17(9-7-16)22-20(27)14-24-10-12-25(13-11-24)21-23-18-4-2-3-5-19(18)28-21/h2-9H,10-14H2,1H3,(H,22,27)/p+1