5-butyl-2-[2-[[4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-butyl-2-[2-[[4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-butyl-2-[2-[[4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-2-[2-[[4-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-butyl-2-[2-[[4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-butyl-6-methyl-2-[2-[(4-methylolpiperidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)C2=CC=CC=C2C[NH+]3CCC(CC3)CO)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)C2=CC=CC=C2C[NH+]3CCC(CC3)CO)C

InChI

InChI=1S/C22H31N3O2/c1-3-4-8-19-16(2)23-21(24-22(19)27)20-9-6-5-7-18(20)14-25-12-10-17(15-26)11-13-25/h5-7,9,17,26H,3-4,8,10-15H2,1-2H3,(H,23,24,27)/p+1