N-cyclohexyl-5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-cyclohexyl-5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-cyclohexyl-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]isoxazole-3-carboxamide CAS Name: N-cyclohexyl-5-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: N-cyclohexyl-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-cyclohexyl-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]isoxazole-3-carboxamide Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=NOC(=C2)C[NH+]3CCCC(C3)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=NOC(=C2)C[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C16H25N3O3/c20-13-7-4-8-19(10-13)11-14-9-15(18-22-14)16(21)17-12-5-2-1-3-6-12/h9,12-13,20H,1-8,10-11H2,(H,17,21)/p+1/t13-/m0/s1