6-(piperidin-1-ium-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 6-(piperidin-1-ium-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 2-isopropyl-6-(piperidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one CAS Name: 6-(1-piperidin-1-iumylmethyl)-2-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-(piperidin-1-ium-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 2-isopropyl-6-(piperidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=O)C=C(N1)C[NH+]2CCCCC2

Isomeric SMILES

CC(C)C1=NC(=O)C=C(N1)C[NH+]2CCCCC2

InChI

InChI=1S/C13H21N3O/c1-10(2)13-14-11(8-12(17)15-13)9-16-6-4-3-5-7-16/h8,10H,3-7,9H2,1-2H3,(H,14,15,17)/p+1