2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C24H30N5O3S+ MolecularWeight: 468.5917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)N5C=CC=C5)C

InChI

InChI=1S/C24H29N5O3S/c1-17-15-18(2)25-23-20(17)21(28-5-3-4-6-28)22(33-23)24(31)29-9-7-26(8-10-29)16-19(30)27-11-13-32-14-12-27/h3-6,15H,7-14,16H2,1-2H3/p+1