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

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-5-pentyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-5-pentyl-1H-pyrimidin-4-one CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-5-pentyl-1H-pyrimidin-4-one Traditional Name: 5-amyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-1H-pyrimidin-4-one Formula: C16H29N4O2+ MolecularWeight: 309.42706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)N2CC[NH+](CC2)CCO)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)N2CC[NH+](CC2)CCO)C

InChI

InChI=1S/C16H28N4O2/c1-3-4-5-6-14-13(2)17-16(18-15(14)22)20-9-7-19(8-10-20)11-12-21/h21H,3-12H2,1-2H3,(H,17,18,22)/p+1