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

Systemtic Name: 4-methyl-6-oxidanyl-2-oxidanylidene-1-(3-oxidanylpropyl)-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile Openeye Name: 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile CAS Name: 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidin-1-iumylmethyl)-3-pyridinecarbonitrile IUPAC Name: 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile Traditional Name: 6-hydroxy-1-(3-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)CCCO)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-12-13(10-17)15(21)19(8-5-9-20)16(22)14(12)11-18-6-3-2-4-7-18/h20,22H,2-9,11H2,1H3/p+1