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

Systemtic Name: N-[6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[6-(4-benzylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[6-(4-benzylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[6-(4-benzylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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