2-[5-(4-methylpiperazin-4-ium-1-yl)carbonylthieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)carbonylthieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone Openeye Name: 2-[5-(4-methylpiperazin-4-ium-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone CAS Name: 2-[5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4-thieno[3,2-b]pyrrolyl]-1-phenylethanone IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]-1-phenylethanone Traditional Name: 2-[5-(4-methylpiperazin-4-ium-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone Formula: C20H22N3O2S+ MolecularWeight: 368.47258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CC(=O)C4=CC=CC=C4)C=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CC(=O)C4=CC=CC=C4)C=CS3

InChI

InChI=1S/C20H21N3O2S/c1-21-8-10-22(11-9-21)20(25)17-13-19-16(7-12-26-19)23(17)14-18(24)15-5-3-2-4-6-15/h2-7,12-13H,8-11,14H2,1H3/p+1