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

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(benzothiophen-2-ylmethyl)-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]isoxazole-3-carboxamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-5-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-(benzothiophen-2-ylmethyl)-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]isoxazole-3-carboxamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=NO2)C(=O)NCC3=CC4=CC=CC=C4S3)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=NO2)C(=O)NCC3=CC4=CC=CC=C4S3)O

InChI

InChI=1S/C19H21N3O3S/c23-14-5-3-7-22(11-14)12-15-9-17(21-25-15)19(24)20-10-16-8-13-4-1-2-6-18(13)26-16/h1-2,4,6,8-9,14,23H,3,5,7,10-12H2,(H,20,24)/p+1/t14-/m0/s1