(6-bromanyl-1,3-benzodioxol-5-yl)methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C14H21BrN2O2+2 MolecularWeight: 329.23274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH2+]CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH2+]CC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C14H19BrN2O2/c1-17-4-2-11(3-5-17)16-8-10-6-13-14(7-12(10)15)19-9-18-13/h6-7,11,16H,2-5,8-9H2,1H3/p+2