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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-p-cumenyl-acetamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-16(2)17-7-9-18(10-8-17)23-21(27)15-25-11-13-26(14-12-25)22-24-19-5-3-4-6-20(19)28-22/h3-10,16H,11-15H2,1-2H3,(H,23,27)/p+1