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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-methoxyphenoxy)ethanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-methoxyphenoxy)acetamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-methoxyphenoxy)acetamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=CS2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCCC3

InChI

InChI=1S/C21H28N2O3S/c1-25-17-8-10-18(11-9-17)26-16-21(24)22-15-19(20-7-6-14-27-20)23-12-4-2-3-5-13-23/h6-11,14,19H,2-5,12-13,15-16H2,1H3,(H,22,24)/p+1/t19-/m0/s1