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

Systemtic Name: [3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [3-bromo-4-(cyanomethoxy)-5-methoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C17H26BrN3O3+2 MolecularWeight: 400.31064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC#N

InChI

InChI=1S/C17H24BrN3O3/c1-22-16-12-14(11-15(18)17(16)24-8-3-19)13-20-4-2-5-21-6-9-23-10-7-21/h11-12,20H,2,4-10,13H2,1H3/p+2