(5-bromanyl-2-ethoxy-phenyl)methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: (5-bromanyl-2-ethoxy-phenyl)methyl-(pyridin-3-ylmethyl)azanium Openeye Name: (5-bromo-2-ethoxy-phenyl)methyl-(3-pyridylmethyl)ammonium CAS Name: (5-bromo-2-ethoxyphenyl)methyl-(3-pyridinylmethyl)ammonium IUPAC Name: (5-bromo-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium Traditional Name: (5-bromo-2-ethoxy-benzyl)-(3-pyridylmethyl)ammonium Formula: C15H18BrN2O+ MolecularWeight: 322.22022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C[NH2+]CC2=CN=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C[NH2+]CC2=CN=CC=C2

InChI

InChI=1S/C15H17BrN2O/c1-2-19-15-6-5-14(16)8-13(15)11-18-10-12-4-3-7-17-9-12/h3-9,18H,2,10-11H2,1H3/p+1