2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]acetamide Formula: C21H26BrN2O3S+ MolecularWeight: 466.41174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CSC2=CC=C(C=C2)Br)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CSC2=CC=C(C=C2)Br)[NH+]3CCOCC3

InChI

InChI=1S/C21H25BrN2O3S/c1-26-18-6-2-16(3-7-18)20(24-10-12-27-13-11-24)14-23-21(25)15-28-19-8-4-17(22)5-9-19/h2-9,20H,10-15H2,1H3,(H,23,25)/p+1/t20-/m0/s1