3-ethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,2-oxazole-5-carboxamide

Systemtic Name: 3-ethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,2-oxazole-5-carboxamide Openeye Name: 3-ethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]isoxazole-5-carboxamide CAS Name: 3-ethyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-5-isoxazolecarboxamide IUPAC Name: 3-ethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,2-oxazole-5-carboxamide Traditional Name: 3-ethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]isoxazole-5-carboxamide Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CCC1=NOC(=C1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2/c1-2-16-13-18(24-21-16)19(23)20-17-9-6-11-22(14-17)12-10-15-7-4-3-5-8-15/h3-5,7-8,13,17H,2,6,9-12,14H2,1H3,(H,20,23)/p+1/t17-/m0/s1