N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-chloranyl-benzamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-chloranyl-benzamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-chloro-benzamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-chlorobenzamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-chloro-benzamide Formula: C19H24ClN2OS+ MolecularWeight: 363.92466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=CC=CC=C2Cl)C3=CC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=CC=CC=C2Cl)C3=CC=CS3

InChI

InChI=1S/C19H23ClN2OS/c20-16-9-4-3-8-15(16)19(23)21-14-17(18-10-7-13-24-18)22-11-5-1-2-6-12-22/h3-4,7-10,13,17H,1-2,5-6,11-12,14H2,(H,21,23)/p+1/t17-/m0/s1