(7-bromanyl-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: (7-bromanyl-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)azanium Openeye Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)ammonium CAS Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-(3-pyridinylmethyl)ammonium IUPAC Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)azanium Traditional Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)ammonium Formula: C14H14BrN2O2+ MolecularWeight: 322.17716

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C[NH2+]CC3=CN=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C[NH2+]CC3=CN=CC=C3)Br

InChI

InChI=1S/C14H13BrN2O2/c15-12-4-11(5-13-14(12)19-9-18-13)8-17-7-10-2-1-3-16-6-10/h1-6,17H,7-9H2/p+1