4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-ethylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethylthieno[2,3-d]pyrimidine Traditional Name: 6-ethyl-4-(4-piperonylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H22N4O2S/c1-2-15-10-16-19(21-12-22-20(16)27-15)24-7-5-23(6-8-24)11-14-3-4-17-18(9-14)26-13-25-17/h3-4,9-10,12H,2,5-8,11,13H2,1H3/p+1