(5-bromanyl-2-methoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C14H23BrN2O2+2 MolecularWeight: 331.24862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH2+]CC[NH+]2CCOCC2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH2+]CC[NH+]2CCOCC2

InChI

InChI=1S/C14H21BrN2O2/c1-18-14-3-2-13(15)10-12(14)11-16-4-5-17-6-8-19-9-7-17/h2-3,10,16H,4-9,11H2,1H3/p+2