2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H22N4O3/c24-18-14-2-1-3-15(14)20-19(21-18)23-8-6-22(7-9-23)11-13-4-5-16-17(10-13)26-12-25-16/h4-5,10H,1-3,6-9,11-12H2,(H,20,21,24)/p+1