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

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H30BrN3O3+2 MolecularWeight: 452.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O3/c1-26-20-13-18(15-24-6-3-7-25-8-10-27-11-9-25)12-19(22)21(20)28-16-17-4-2-5-23-14-17/h2,4-5,12-14,24H,3,6-11,15-16H2,1H3/p+2