1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N-[(2S)-2-ethylhexyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N-[(2S)-2-ethylhexyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-N-[(2S)-2-ethylhexyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-[(2S)-2-ethylhexyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-[(2S)-2-ethylhexyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-bromo-4-hydroxy-5-methoxy-benzyl)-N-[(2S)-2-ethylhexyl]piperidin-1-ium-4-carboxamide Formula: C22H36BrN2O3+ MolecularWeight: 456.43684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C22H35BrN2O3/c1-4-6-7-16(5-2)14-24-22(27)18-8-10-25(11-9-18)15-17-12-19(23)21(26)20(13-17)28-3/h12-13,16,18,26H,4-11,14-15H2,1-3H3,(H,24,27)/p+1/t16-/m0/s1