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

Systemtic Name: 5-(4-bromophenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide Formula: C21H23BrN3O2S+ MolecularWeight: 461.39522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2S/c22-16-8-6-15(7-9-16)19-13-17(24-27-19)21(26)23-14-18(20-5-4-12-28-20)25-10-2-1-3-11-25/h4-9,12-13,18H,1-3,10-11,14H2,(H,23,26)/p+1/t18-/m0/s1