4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide

Systemtic Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide Openeye Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide CAS Name: 4-[5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-thieno[2,3-d]pyrimidinyl]-1-piperazinesulfonamide IUPAC Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide Traditional Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide Formula: C19H31N6O2S2+ MolecularWeight: 439.61844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)N4CCN(CC4)S(=O)(=O)N

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)N4CCN(CC4)S(=O)(=O)N

InChI

InChI=1S/C19H30N6O2S2/c1-13-4-6-23(7-5-13)12-16-21-18(17-14(2)15(3)28-19(17)22-16)24-8-10-25(11-9-24)29(20,26)27/h13H,4-12H2,1-3H3,(H2,20,26,27)/p+1