4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-(4-piperonylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C5C=CSC5=NC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C5C=CSC5=NC=N4

InChI

InChI=1S/C18H18N4O2S/c1-2-15-16(24-12-23-15)9-13(1)10-21-4-6-22(7-5-21)17-14-3-8-25-18(14)20-11-19-17/h1-3,8-9,11H,4-7,10,12H2/p+1