6-methyl-5-(3-methylbutyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3)CCC(C)C

InChI

InChI=1S/C21H30N4O/c1-16(2)9-10-19-17(3)22-21(23-20(19)26)25-13-11-24(12-14-25)15-18-7-5-4-6-8-18/h4-8,16H,9-15H2,1-3H3,(H,22,23,26)/p+1