4-methyl-6-oxidanyl-2-oxidanylidene-1-[(2S)-2-oxidanylpropyl]-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile

Systemtic Name: 4-methyl-6-oxidanyl-2-oxidanylidene-1-[(2S)-2-oxidanylpropyl]-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile Openeye Name: 6-hydroxy-1-[(2S)-2-hydroxypropyl]-4-methyl-2-oxo-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile CAS Name: 6-hydroxy-1-[(2S)-2-hydroxypropyl]-4-methyl-2-oxo-5-(1-piperidin-1-iumylmethyl)-3-pyridinecarbonitrile IUPAC Name: 6-hydroxy-1-[(2S)-2-hydroxypropyl]-4-methyl-2-oxo-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile Traditional Name: 6-hydroxy-1-[(2S)-2-hydroxypropyl]-2-keto-4-methyl-5-(piperidin-1-ium-1-ylmethyl)nicotinonitrile Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C[NH+]2CCCCC2)O)CC(C)O)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C[NH+]2CCCCC2)O)C[C@H](C)O)C#N

InChI

InChI=1S/C16H23N3O3/c1-11(20)9-19-15(21)13(8-17)12(2)14(16(19)22)10-18-6-4-3-5-7-18/h11,20,22H,3-7,9-10H2,1-2H3/p+1/t11-/m0/s1