4-chloranyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-chloranyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-chloro-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-chloro-5-phenyl-2-(1-piperidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-chloro-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-chloro-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C18H19ClN3S+ MolecularWeight: 344.88156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=N2)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=N2)Cl

InChI

InChI=1S/C18H18ClN3S/c19-17-16-14(13-7-3-1-4-8-13)12-23-18(16)21-15(20-17)11-22-9-5-2-6-10-22/h1,3-4,7-8,12H,2,5-6,9-11H2/p+1