N-[(5-methylthiophen-2-yl)methyl]-5-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-5-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-N-[(5-methyl-2-thienyl)methyl]isoxazole-3-carboxamide CAS Name: 5-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-N-[(5-methyl-2-thiophenyl)methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-N-[(5-methyl-2-thienyl)methyl]isoxazole-3-carboxamide Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC(CC3)O

Isomeric SMILES

CC1=CC=C(S1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C16H21N3O3S/c1-11-2-3-14(23-11)9-17-16(21)15-8-13(22-18-15)10-19-6-4-12(20)5-7-19/h2-3,8,12,20H,4-7,9-10H2,1H3,(H,17,21)/p+1