6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N-(4-oxidanylcyclohexyl)-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N-(4-oxidanylcyclohexyl)-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N-(4-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide CAS Name: 6-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-N-(4-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N-(4-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N-(4-hydroxycyclohexyl)-2-keto-1H-pyridine-3-carboxamide Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NC3CCC(CC3)O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NC3CCC(CC3)O

InChI

InChI=1S/C20H31N3O3/c1-2-16-5-3-4-12-23(16)13-15-8-11-18(20(26)22-15)19(25)21-14-6-9-17(24)10-7-14/h8,11,14,16-17,24H,2-7,9-10,12-13H2,1H3,(H,21,25)(H,22,26)/p+1/t14?,16-,17?/m0/s1