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

Systemtic Name: 5-butyl-4-oxidanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-6-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-butyl-4-hydroxy-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-6-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C19H26N4O2/c1-2-3-9-16-17(24)20-19(21-18(16)25)23-12-10-22(11-13-23)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H2,20,21,24,25)/p+1