N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(1-piperidin-1-iumyl)propyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=NOC(=C1)C2=CC=CS2)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](CNC(=O)C1=NOC(=C1)C2=CC=CS2)[NH+]3CCCCC3

InChI

InChI=1S/C16H21N3O2S/c1-12(19-7-3-2-4-8-19)11-17-16(20)13-10-14(21-18-13)15-6-5-9-22-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,20)/p+1/t12-/m1/s1