[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(2-oxo-1H-pyridin-3-yl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(2-oxo-1H-pyridin-3-yl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(2-oxo-1H-pyridin-3-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2-keto-1H-pyridin-3-yl)methyl]-methyl-ammonium Formula: C16H19N2O3+ MolecularWeight: 287.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC3=CC=CNC3=O

Isomeric SMILES

C[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=CC=CNC3=O

InChI

InChI=1S/C16H18N2O3/c1-18(9-12-5-4-8-17-16(12)19)10-13-11-20-14-6-2-3-7-15(14)21-13/h2-8,13H,9-11H2,1H3,(H,17,19)/p+1/t13-/m0/s1