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

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-N-(2-morpholinoethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-bromo-4-hydroxy-5-methoxy-benzyl)-N-(2-morpholinoethyl)piperidin-1-ium-4-carboxamide Formula: C20H31BrN3O4+ MolecularWeight: 457.38184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCN3CCOCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCN3CCOCC3)Br)O

InChI

InChI=1S/C20H30BrN3O4/c1-27-18-13-15(12-17(21)19(18)25)14-24-5-2-16(3-6-24)20(26)22-4-7-23-8-10-28-11-9-23/h12-13,16,25H,2-11,14H2,1H3,(H,22,26)/p+1