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

Systemtic Name: 5-phenyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-phenyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-phenyl-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-isoxazolecarboxamide IUPAC Name: 5-phenyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-phenyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H23N3O2S/c25-21(17-14-19(26-23-17)16-8-3-1-4-9-16)22-15-18(20-10-7-13-27-20)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