2-[[1-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-(5,6-dimethyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]isonipecotoyl]amino]ethyl-dimethyl-ammonium Formula: C22H30N5OS2+ MolecularWeight: 444.6365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)NCC[NH+](C)C)C4=CC=CS4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)NCC[NH+](C)C)C4=CC=CS4)C

InChI

InChI=1S/C22H29N5OS2/c1-14-15(2)30-22-18(14)20(24-19(25-22)17-6-5-13-29-17)27-10-7-16(8-11-27)21(28)23-9-12-26(3)4/h5-6,13,16H,7-12H2,1-4H3,(H,23,28)/p+1