7-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[cyclopentyl(piperonyl)amino]methyl]-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+]2=C(S1)NC(=CC2=O)CN(CC3=CC4=C(C=C3)OCO4)C5CCCC5

Isomeric SMILES

CCC1=N[N+]2=C(S1)NC(=CC2=O)CN(CC3=CC4=C(C=C3)OCO4)C5CCCC5

InChI

InChI=1S/C21H24N4O3S/c1-2-19-23-25-20(26)10-15(22-21(25)29-19)12-24(16-5-3-4-6-16)11-14-7-8-17-18(9-14)28-13-27-17/h7-10,16H,2-6,11-13H2,1H3/p+1