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

Systemtic Name: (3R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(5-bromo-2-methoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(5-bromo-2-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=C(C=CC(=C2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2O2/c1-4-21(5-2)18(22)14-7-6-10-20(12-14)13-15-11-16(19)8-9-17(15)23-3/h8-9,11,14H,4-7,10,12-13H2,1-3H3/p+1/t14-/m1/s1