(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(pyridin-3-ylmethyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-(3-pyridylmethyl)ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(3-pyridinylmethyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(3-pyridylmethyl)ammonium Formula: C17H20BrN2O2+ MolecularWeight: 364.2569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC=C

InChI

InChI=1S/C17H19BrN2O2/c1-3-7-22-17-15(18)8-14(9-16(17)21-2)12-20-11-13-5-4-6-19-10-13/h3-6,8-10,20H,1,7,11-12H2,2H3/p+1