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

Systemtic Name: (3R)-1-[(3-bromanyl-4-methoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(3-bromo-4-methoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(3-bromo-4-methoxy-benzyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C18H28BrN2O2+ MolecularWeight: 384.33112

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C18H27BrN2O2/c1-4-21(5-2)18(22)15-7-6-10-20(13-15)12-14-8-9-17(23-3)16(19)11-14/h8-9,11,15H,4-7,10,12-13H2,1-3H3/p+1/t15-/m1/s1