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

Systemtic Name: N-[2-(5-methylthiophen-2-yl)ethyl]-5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-N-[2-(5-methyl-2-thienyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-N-[2-(5-methyl-2-thiophenyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-N-[2-(5-methylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-N-[2-(5-methyl-2-thienyl)ethyl]isoxazole-3-carboxamide Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CCNC(=O)C2=NOC(=C2)C[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=CC=C(S1)CCNC(=O)C2=NOC(=C2)C[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C17H23N3O3S/c1-12-4-5-15(24-12)6-7-18-17(22)16-9-14(23-19-16)11-20-8-2-3-13(21)10-20/h4-5,9,13,21H,2-3,6-8,10-11H2,1H3,(H,18,22)/p+1/t13-/m0/s1