2-[[2,6-dimethyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole

Systemtic Name: 2-[[2,6-dimethyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole Openeye Name: 2-[[2,6-dimethyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyridin-1-ium-4-yl]methylene]-3-ethyl-1,3-benzothiazole CAS Name: 2-[[2,6-dimethyl-1-[2-(1-piperazine-1,4-diiumyl)ethyl]-4-pyridin-1-iumyl]methylidene]-3-ethyl-1,3-benzothiazole IUPAC Name: 2-[[2,6-dimethyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole Traditional Name: 2-[[2,6-dimethyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyridin-1-ium-4-yl]methylene]-3-ethyl-1,3-benzothiazole Formula: C23H33N4S+3 MolecularWeight: 397.59992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=[N+](C(=C3)C)CC[NH+]4CC[NH2+]CC4)C

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC3=CC(=[N+](C(=C3)C)CC[NH+]4CC[NH2+]CC4)C

InChI

InChI=1S/C23H31N4S/c1-4-26-21-7-5-6-8-22(21)28-23(26)17-20-15-18(2)27(19(3)16-20)14-13-25-11-9-24-10-12-25/h5-8,15-17,24H,4,9-14H2,1-3H3/q+1/p+2