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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H23N3O3/c25-21(17-14-20(27-23-17)16-8-3-1-4-9-16)22-15-18(19-10-7-13-26-19)24-11-5-2-6-12-24/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,22,25)/p+1/t18-/m0/s1