2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-oxidanylidenethieno[3,4-c]chromen-3-yl)ethanamide

Systemtic Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-oxidanylidenethieno[3,4-c]chromen-3-yl)ethanamide Openeye Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide CAS Name: 2-(4-methyl-1-piperazine-1,4-diiumyl)-N-(4-oxo-3-thieno[3,4-c][1]benzopyranyl)acetamide IUPAC Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide Traditional Name: N-(4-ketothieno[3,4-c]chromen-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C18H21N3O3S+2 MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C3C(=CS2)C4=CC=CC=C4OC3=O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C3C(=CS2)C4=CC=CC=C4OC3=O

InChI

InChI=1S/C18H19N3O3S/c1-20-6-8-21(9-7-20)10-15(22)19-17-16-13(11-25-17)12-4-2-3-5-14(12)24-18(16)23/h2-5,11H,6-10H2,1H3,(H,19,22)/p+2