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

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-16-8-6-15(7-9-16)18(25-10-2-1-3-11-25)14-23-21(26)17-13-19(27-24-17)20-5-4-12-28-20/h4-9,12-13,18H,1-3,10-11,14H2,(H,23,26)/p+1/t18-/m1/s1