4-(2-methoxyphenoxy)-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(2-methoxyphenoxy)-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(2-methoxyphenoxy)-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(2-methoxyphenoxy)-5,6-dimethyl-2-(1-piperidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(2-methoxyphenoxy)-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(2-methoxyphenoxy)-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC=C3OC)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC=C3OC)C[NH+]4CCCCC4)C

InChI

InChI=1S/C21H25N3O2S/c1-14-15(2)27-21-19(14)20(26-17-10-6-5-9-16(17)25-3)22-18(23-21)13-24-11-7-4-8-12-24/h5-6,9-10H,4,7-8,11-13H2,1-3H3/p+1