2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N5O3S+ MolecularWeight: 440.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O3S/c1-14-10-15(2)21(16(3)11-14)24-20(28)13-25-6-8-26(9-7-25)22-23-18-5-4-17(27(29)30)12-19(18)31-22/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,28)/p+1