4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C17H18ClN4S+ MolecularWeight: 345.86962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C17H17ClN4S/c18-14-3-1-13(2-4-14)11-21-6-8-22(9-7-21)16-15-5-10-23-17(15)20-12-19-16/h1-5,10,12H,6-9,11H2/p+1