(5-bromanyl-2-methoxy-phenyl)methyl-[2-(3-methoxyphenyl)ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-(3-methoxyphenyl)ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-(3-methoxyphenyl)ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-(3-methoxyphenyl)ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-(3-methoxyphenyl)ethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-(3-methoxyphenyl)ethyl]ammonium Formula: C17H21BrNO2+ MolecularWeight: 351.25814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH2+]CCC2=CC(=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH2+]CCC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H20BrNO2/c1-20-16-5-3-4-13(10-16)8-9-19-12-14-11-15(18)6-7-17(14)21-2/h3-7,10-11,19H,8-9,12H2,1-2H3/p+1