2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NCCC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H28N2O2S/c1-25-18-10-8-17(9-11-18)20-7-3-2-4-14-23(20)16-21(24)22-13-12-19-6-5-15-26-19/h5-6,8-11,15,20H,2-4,7,12-14,16H2,1H3,(H,22,24)/p+1/t20-/m1/s1