6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(5-methyl-1-propyl-pyrazol-4-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(5-methyl-1-propyl-pyrazol-4-yl)-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(5-methyl-1-propyl-pyrazol-4-yl)-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-methyl-3-piperidin-1-iumyl]-2-(5-methyl-1-propyl-4-pyrazolyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(5-methyl-1-propylpyrazol-4-yl)-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(5-methyl-1-propyl-pyrazol-4-yl)-1H-pyrimidin-4-one Formula: C17H26N5O+ MolecularWeight: 316.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C2=NC(=O)C=C(N2)C3CCC[NH+](C3)C)C

Isomeric SMILES

CCCN1C(=C(C=N1)C2=NC(=O)C=C(N2)[C@H]3CCC[NH+](C3)C)C

InChI

InChI=1S/C17H25N5O/c1-4-7-22-12(2)14(10-18-22)17-19-15(9-16(23)20-17)13-6-5-8-21(3)11-13/h9-10,13H,4-8,11H2,1-3H3,(H,19,20,23)/p+1/t13-/m0/s1