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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O/c23-17-15-7-4-8-16(15)19-18(20-17)22-11-9-21(10-12-22)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,19,20,23)/p+1