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

Systemtic Name: methyl 4-[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5,6-dimethyl-2-(1-piperidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=C(C=C3)C(=O)OC)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=C(C=C3)C(=O)OC)C[NH+]4CCCCC4)C

InChI

InChI=1S/C22H25N3O3S/c1-14-15(2)29-21-19(14)20(23-18(24-21)13-25-11-5-4-6-12-25)28-17-9-7-16(8-10-17)22(26)27-3/h7-10H,4-6,11-13H2,1-3H3/p+1