5-bromanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-oxidanyl-benzamide Openeye Name: 5-bromo-2-hydroxy-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 5-bromo-2-hydroxy-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 5-bromo-2-hydroxy-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 5-bromo-2-hydroxy-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C17H20BrN2O3S+ MolecularWeight: 412.3213

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=C(C=CC(=C2)Br)O)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=C(C=CC(=C2)Br)O)C3=CC=CS3

InChI

InChI=1S/C17H19BrN2O3S/c18-12-3-4-15(21)13(10-12)17(22)19-11-14(16-2-1-9-24-16)20-5-7-23-8-6-20/h1-4,9-10,14,21H,5-8,11H2,(H,19,22)/p+1/t14-/m0/s1