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

Systemtic Name: 5-butyl-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-butyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-butyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-butyl-6-methyl-1H-pyrimidin-4-one Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O/c1-3-4-15-23-20(2)27-26(28-25(23)31)30-18-16-29(17-19-30)24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,24H,3-4,15-19H2,1-2H3,(H,27,28,31)/p+1