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

Systemtic Name: 2-[[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[5,6-dimethyl-2-(1-piperidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium Formula: C18H31N5S+2 MolecularWeight: 349.53724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC[NH+](C)C)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC[NH+](C)C)C[NH+]3CCCCC3)C

InChI

InChI=1S/C18H29N5S/c1-13-14(2)24-18-16(13)17(19-8-11-22(3)4)20-15(21-18)12-23-9-6-5-7-10-23/h5-12H2,1-4H3,(H,19,20,21)/p+2