4-methyl-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-oxidanylidene-1-propyl-pyridine-3-carbonitrile

Systemtic Name: 4-methyl-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-oxidanylidene-1-propyl-pyridine-3-carbonitrile Openeye Name: 6-hydroxy-4-methyl-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-1-propyl-pyridine-3-carbonitrile CAS Name: 6-hydroxy-4-methyl-5-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-1-propyl-3-pyridinecarbonitrile IUPAC Name: 6-hydroxy-4-methyl-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-1-propylpyridine-3-carbonitrile Traditional Name: 6-hydroxy-2-keto-4-methyl-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1-propyl-nicotinonitrile Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C(C1=O)C#N)C)C[NH+]2CCCC(C2)C)O

Isomeric SMILES

CCCN1C(=C(C(=C(C1=O)C#N)C)C[NH+]2CCC[C@@H](C2)C)O

InChI

InChI=1S/C17H25N3O2/c1-4-7-20-16(21)14(9-18)13(3)15(17(20)22)11-19-8-5-6-12(2)10-19/h12,22H,4-8,10-11H2,1-3H3/p+1/t12-/m0/s1