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

Systemtic Name: 6-methyl-5-pentyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-pentyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-pentyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-pentyl-1H-pyrimidin-4-one Traditional Name: 5-amyl-2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H30N4O/c1-3-4-6-11-19-17(2)22-21(23-20(19)26)25-14-12-24(13-15-25)16-18-9-7-5-8-10-18/h5,7-10H,3-4,6,11-16H2,1-2H3,(H,22,23,26)/p+1