(2S)-2-(4-bromanyl-2-chloranyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2S)-2-(4-bromanyl-2-chloranyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(4-bromo-2-chloro-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(4-bromo-2-chlorophenoxy)-N-(1-ethyl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(4-bromo-2-chlorophenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(4-bromo-2-chloro-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)propionamide Formula: C16H23BrClN2O2+ MolecularWeight: 390.72302

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C(C)OC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H22BrClN2O2/c1-3-20-8-6-13(7-9-20)19-16(21)11(2)22-15-5-4-12(17)10-14(15)18/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,19,21)/p+1/t11-/m0/s1