(2S)-2-(4-bromanylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propionamide Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC=CS1)[NH+]2CCOCC2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC[C@@H](C1=CC=CS1)[NH+]2CCOCC2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H23BrN2O3S/c1-14(25-16-6-4-15(20)5-7-16)19(23)21-13-17(18-3-2-12-26-18)22-8-10-24-11-9-22/h2-7,12,14,17H,8-11,13H2,1H3,(H,21,23)/p+1/t14-,17-/m0/s1