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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-phenoxyacetamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-phenoxy-acetamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)COC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)COC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H26N2O2S/c23-20(16-24-17-9-4-3-5-10-17)21-15-18(19-11-8-14-25-19)22-12-6-1-2-7-13-22/h3-5,8-11,14,18H,1-2,6-7,12-13,15-16H2,(H,21,23)/p+1/t18-/m0/s1