2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5,6-dimethyl-1H-pyrimidin-4-one Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O/c1-17-18(2)24-23(25-22(17)28)27-15-13-26(14-16-27)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,13-16H2,1-2H3,(H,24,25,28)/p+1