2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-6-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-6-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-6-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CC(=O)N4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CC(=O)N4

InChI

InChI=1S/C21H22N4O/c26-19-11-12-22-21(23-19)25-15-13-24(14-16-25)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,20H,13-16H2,(H,22,23,26)/p+1