[5-bromanyl-2-(3-phenylpropoxy)phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-(3-phenylpropoxy)phenyl]methylazanium Openeye Name: [5-bromo-2-(3-phenylpropoxy)phenyl]methylammonium CAS Name: [5-bromo-2-(3-phenylpropoxy)phenyl]methylammonium IUPAC Name: [5-bromo-2-(3-phenylpropoxy)phenyl]methylazanium Traditional Name: [5-bromo-2-(3-phenylpropoxy)benzyl]ammonium Formula: C16H19BrNO+ MolecularWeight: 321.23216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)Br)C[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)Br)C[NH3+]

InChI

InChI=1S/C16H18BrNO/c17-15-8-9-16(14(11-15)12-18)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12,18H2/p+1