2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C23H28N4OS+2 MolecularWeight: 408.55962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

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