2-(3-methylbutyl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-(3-methylbutyl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-isopentyl-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one CAS Name: 2-(3-methylbutyl)-6-[(3S)-1-methyl-3-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(3-methylbutyl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-isoamyl-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Formula: C15H26N3O+ MolecularWeight: 264.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NC(=O)C=C(N1)C2CCC[NH+](C2)C

Isomeric SMILES

CC(C)CCC1=NC(=O)C=C(N1)[C@H]2CCC[NH+](C2)C

InChI

InChI=1S/C15H25N3O/c1-11(2)6-7-14-16-13(9-15(19)17-14)12-5-4-8-18(3)10-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,19)/p+1/t12-/m0/s1