N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(2-chloranylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(2-chloranylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(2-chlorophenoxy)acetamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-(2-chlorophenoxy)acetamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-(2-chlorophenoxy)acetamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(2-chlorophenoxy)acetamide Formula: C20H26ClN2O2S+ MolecularWeight: 393.95064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)COC2=CC=CC=C2Cl)C3=CC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)COC2=CC=CC=C2Cl)C3=CC=CS3

InChI

InChI=1S/C20H25ClN2O2S/c21-16-8-3-4-9-18(16)25-15-20(24)22-14-17(19-10-7-13-26-19)23-11-5-1-2-6-12-23/h3-4,7-10,13,17H,1-2,5-6,11-12,14-15H2,(H,22,24)/p+1/t17-/m0/s1