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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C20H23N3O2S2/c24-20(15-13-17(25-22-15)19-8-6-12-27-19)21-14-16(18-7-5-11-26-18)23-9-3-1-2-4-10-23/h5-8,11-13,16H,1-4,9-10,14H2,(H,21,24)/p+1/t16-/m0/s1