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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-15-7-8-17(16(2)13-15)22-20(26)14-24-9-11-25(12-10-24)21-23-18-5-3-4-6-19(18)27-21/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)/p+1