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

Systemtic Name: 4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-(4-ethanoylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(4-acetylphenyl)-4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-acetylphenyl)-4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-acetylphenyl)-4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-acetylphenyl)-4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C22H24N4O2S/c1-15(21-24-19-5-3-4-6-20(19)29-21)25-11-13-26(14-12-25)22(28)23-18-9-7-17(8-10-18)16(2)27/h3-10,15H,11-14H2,1-2H3,(H,23,28)/p+1/t15-/m0/s1