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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O/c29-23-20-12-7-13-21(20)25-24(26-23)28-16-14-27(15-17-28)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,22H,7,12-17H2,(H,25,26,29)/p+1