3-methyl-2-(1-oxidanyl-1-pyridin-3-yl-ethyl)pentanoate; piperidin-1-ium

Systemtic Name: 3-methyl-2-(1-oxidanyl-1-pyridin-3-yl-ethyl)pentanoate; piperidin-1-ium Openeye Name: 2-[1-hydroxy-1-(3-pyridyl)ethyl]-3-methyl-pentanoate; piperidin-1-ium CAS Name: 2-[1-hydroxy-1-(3-pyridinyl)ethyl]-3-methylpentanoate; piperidin-1-ium IUPAC Name: 2-(1-hydroxy-1-pyridin-3-ylethyl)-3-methylpentanoate; piperidin-1-ium Traditional Name: 2-[1-hydroxy-1-(3-pyridyl)ethyl]-3-methyl-valerate; piperidin-1-ium Formula: C18H30N2O3 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])C(C)(C1=CN=CC=C1)O.C1CC[NH2+]CC1

Isomeric SMILES

CCC(C)C(C(=O)[O-])C(C)(C1=CN=CC=C1)O.C1CC[NH2+]CC1

InChI

InChI=1S/C13H19NO3.C5H11N/c1-4-9(2)11(12(15)16)13(3,17)10-6-5-7-14-8-10;1-2-4-6-5-3-1/h5-9,11,17H,4H2,1-3H3,(H,15,16);6H,1-5H2