(3R)-1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(5-bromo-2,4-dimethoxy-benzyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C19H30BrN2O3+ MolecularWeight: 414.3571

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2OC)OC)Br

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=C(C=C2OC)OC)Br

InChI

InChI=1S/C19H29BrN2O3/c1-5-22(6-2)19(23)14-8-7-9-21(12-14)13-15-10-16(20)18(25-4)11-17(15)24-3/h10-11,14H,5-9,12-13H2,1-4H3/p+1/t14-/m1/s1