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

Systemtic Name: 5-butyl-6-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-butyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-butyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-butyl-6-methyl-1H-pyrimidin-4-one Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O/c1-3-4-10-18-16(2)21-20(22-19(18)25)24-13-11-23(12-14-24)15-17-8-6-5-7-9-17/h5-9H,3-4,10-15H2,1-2H3,(H,21,22,25)/p+1