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

Systemtic Name: (3R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-benzyl-1-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-benzyl-1-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-benzyl-1-(5-bromo-2-methoxy-benzyl)-N-methyl-piperidin-1-ium-3-carboxamide Formula: C22H28BrN2O2+ MolecularWeight: 432.37392

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCC[NH+](C2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@@H]2CCC[NH+](C2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H27BrN2O2/c1-24(14-17-7-4-3-5-8-17)22(26)18-9-6-12-25(15-18)16-19-13-20(23)10-11-21(19)27-2/h3-5,7-8,10-11,13,18H,6,9,12,14-16H2,1-2H3/p+1/t18-/m1/s1