N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(2-isopropyl-5-methyl-phenoxy)acetamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(2-isopropyl-5-methyl-phenoxy)acetamide Formula: C24H35N2O2S+ MolecularWeight: 415.6119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCC(C2=CC=CS2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCCC3

InChI

InChI=1S/C24H34N2O2S/c1-18(2)20-11-10-19(3)15-22(20)28-17-24(27)25-16-21(23-9-8-14-29-23)26-12-6-4-5-7-13-26/h8-11,14-15,18,21H,4-7,12-13,16-17H2,1-3H3,(H,25,27)/p+1/t21-/m0/s1