5-(4-methoxyphenyl)-N-[(2S)-2-piperidin-1-ium-1-ylpropyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-methoxyphenyl)-N-[(2S)-2-piperidin-1-ium-1-ylpropyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-methoxyphenyl)-N-[(2S)-2-piperidin-1-ium-1-ylpropyl]isoxazole-3-carboxamide CAS Name: 5-(4-methoxyphenyl)-N-[(2S)-2-(1-piperidin-1-iumyl)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methoxyphenyl)-N-[(2S)-2-piperidin-1-ium-1-ylpropyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-methoxyphenyl)-N-[(2S)-2-piperidin-1-ium-1-ylpropyl]isoxazole-3-carboxamide Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-14(22-10-4-3-5-11-22)13-20-19(23)17-12-18(25-21-17)15-6-8-16(24-2)9-7-15/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,20,23)/p+1/t14-/m0/s1