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

Systemtic Name: 5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-N-[(1-phenylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-N-[(1-phenylcyclohexyl)methyl]isoxazole-3-carboxamide CAS Name: 5-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-N-[(1-phenylcyclohexyl)methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-N-[(1-phenylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-N-[(1-phenylcyclohexyl)methyl]isoxazole-3-carboxamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=NOC(=C2)C[NH+]3CCCC(C3)O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=NOC(=C2)C[NH+]3CCC[C@@H](C3)O)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3/c27-19-10-7-13-26(15-19)16-20-14-21(25-29-20)22(28)24-17-23(11-5-2-6-12-23)18-8-3-1-4-9-18/h1,3-4,8-9,14,19,27H,2,5-7,10-13,15-17H2,(H,24,28)/p+1/t19-/m0/s1