5-[(4-butoxyphenyl)methyl]-4-oxidanyl-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-butoxyphenyl)methyl]-4-oxidanyl-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-6-one Openeye Name: 5-[(4-butoxyphenyl)methyl]-4-hydroxy-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-6-one CAS Name: 5-[(4-butoxyphenyl)methyl]-4-hydroxy-2-[3-(1-piperidin-1-iumyl)propylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(4-butoxyphenyl)methyl]-4-hydroxy-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-6-one Traditional Name: 5-(4-butoxybenzyl)-4-hydroxy-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-6-one Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NCCC[NH+]3CCCCC3)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NCCC[NH+]3CCCCC3)O

InChI

InChI=1S/C23H34N4O3/c1-2-3-16-30-19-10-8-18(9-11-19)17-20-21(28)25-23(26-22(20)29)24-12-7-15-27-13-5-4-6-14-27/h8-11H,2-7,12-17H2,1H3,(H3,24,25,26,28,29)/p+1