[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium dichloride CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium dichloride IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(2-morpholin-4-ium-4-ylethyl)ammonium dichloride Formula: C20H28BrCl2N3O3 MolecularWeight: 509.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Br)OCC3=CN=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Br)OCC3=CN=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C20H26BrN3O3.2ClH/c1-25-19-12-17(14-23-5-6-24-7-9-26-10-8-24)11-18(21)20(19)27-15-16-3-2-4-22-13-16;;/h2-4,11-13,23H,5-10,14-15H2,1H3;2*1H