2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(2-naphthyl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-naphthalen-2-ylethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(2-naphthyl)ethanone Formula: C23H22N3OS+ MolecularWeight: 388.50528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3OS/c27-21(19-10-9-17-5-1-2-6-18(17)15-19)16-25-11-13-26(14-12-25)23-24-20-7-3-4-8-22(20)28-23/h1-10,15H,11-14,16H2/p+1