3-bromanyl-2,6-diethoxy-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide chloride

Systemtic Name: 3-bromanyl-2,6-diethoxy-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide chloride Openeye Name: 3-bromo-2,6-diethoxy-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide chloride CAS Name: 3-bromo-2,6-diethoxy-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]benzamide chloride IUPAC Name: 3-bromo-2,6-diethoxy-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide chloride Traditional Name: 3-bromo-2,6-diethoxy-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide chloride Formula: C18H28BrClN2O3 MolecularWeight: 435.78352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=C(C=CC(=C2OCC)Br)OCC.[Cl-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OCC)Br)OCC.[Cl-]

InChI

InChI=1S/C18H27BrN2O3.ClH/c1-4-21-11-7-8-13(21)12-20-18(22)16-15(23-5-2)10-9-14(19)17(16)24-6-3;/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,22);1H/t13-;/m0./s1