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

Systemtic Name: N-(2-naphthalen-1-ylethyl)-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-(1-naphthyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-N-[2-(1-naphthalenyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-N-(2-naphthalen-1-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-N-[2-(1-naphthyl)ethyl]isoxazole-3-carboxamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=NO2)C(=O)NCCC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=NO2)C(=O)NCCC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C22H25N3O3/c26-18-8-4-12-25(14-18)15-19-13-21(24-28-19)22(27)23-11-10-17-7-3-6-16-5-1-2-9-20(16)17/h1-3,5-7,9,13,18,26H,4,8,10-12,14-15H2,(H,23,27)/p+1/t18-/m0/s1