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

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C19H19N4S2+ MolecularWeight: 367.51096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=C5C=CSC5=NC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=C5C=CSC5=NC=N4

InChI

InChI=1S/C19H18N4S2/c1-2-4-17-15(3-1)14(12-25-17)11-22-6-8-23(9-7-22)18-16-5-10-24-19(16)21-13-20-18/h1-5,10,12-13H,6-9,11H2/p+1