2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C23H27N4OS+ MolecularWeight: 407.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H26N4OS/c28-23(27-11-5-7-18-6-1-3-9-20(18)27)17-26-14-12-25(13-15-26)16-22-24-19-8-2-4-10-21(19)29-22/h1-4,6,8-10H,5,7,11-17H2/p+1