N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-ethylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-ethylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-ethylphenoxy)acetamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-(4-ethylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-(4-ethylphenoxy)acetamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-ethylphenoxy)acetamide Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=CS2)[NH+]3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCCC3

InChI

InChI=1S/C22H30N2O2S/c1-2-18-9-11-19(12-10-18)26-17-22(25)23-16-20(21-8-7-15-27-21)24-13-5-3-4-6-14-24/h7-12,15,20H,2-6,13-14,16-17H2,1H3,(H,23,25)/p+1/t20-/m0/s1