5-(4-ethoxyphenyl)-N-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-ethoxyphenyl)-N-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-ethoxyphenyl)-N-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-ethoxyphenyl)-N-[(1S)-1-phenyl-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-ethoxyphenyl)-N-[(1S)-1-phenyl-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]-5-p-phenetyl-isoxazole-3-carboxamide Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC(C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N[C@H](C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-2-30-21-13-11-20(12-14-21)24-17-22(27-31-24)25(29)26-23(19-9-5-3-6-10-19)18-28-15-7-4-8-16-28/h3,5-6,9-14,17,23H,2,4,7-8,15-16,18H2,1H3,(H,26,29)/p+1/t23-/m1/s1