2-piperazin-4-ium-1-yl-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one

Systemtic Name: 2-piperazin-4-ium-1-yl-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one Openeye Name: 2-piperazin-4-ium-1-yl-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one CAS Name: 2-(1-piperazin-4-iumyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one IUPAC Name: 2-piperazin-4-ium-1-yl-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one Traditional Name: 2-piperazin-4-ium-1-yl-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one Formula: C13H21N4O+ MolecularWeight: 249.33204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)NC(=NC2=O)N3CC[NH2+]CC3

Isomeric SMILES

C1CCC2=C(CC1)NC(=NC2=O)N3CC[NH2+]CC3

InChI

InChI=1S/C13H20N4O/c18-12-10-4-2-1-3-5-11(10)15-13(16-12)17-8-6-14-7-9-17/h14H,1-9H2,(H,15,16,18)/p+1