(2S)-2-(4-bromanylphenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]propionamide Formula: C18H23BrN3O2S+ MolecularWeight: 425.36312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C[NH+]2CCCCC2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)C[NH+]2CCCCC2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H22BrN3O2S/c1-13(24-16-7-5-14(19)6-8-16)17(23)21-18-20-15(12-25-18)11-22-9-3-2-4-10-22/h5-8,12-13H,2-4,9-11H2,1H3,(H,20,21,23)/p+1/t13-/m0/s1