N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C22H25ClN3O2S+ MolecularWeight: 430.9708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=CS3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=CS3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3O2S/c23-17-9-4-3-8-16(17)19(26-11-5-1-2-6-12-26)15-24-22(27)18-14-20(28-25-18)21-10-7-13-29-21/h3-4,7-10,13-14,19H,1-2,5-6,11-12,15H2,(H,24,27)/p+1/t19-/m0/s1