1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-ethyl-2-methyl-pyridin-1-ium

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-ethyl-2-methyl-pyridin-1-ium Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-ethyl-2-methyl-pyridin-1-ium CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-ethyl-2-methylpyridin-1-ium IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-ethyl-2-methylpyridin-1-ium Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-ethyl-2-methyl-pyridin-1-ium Formula: C17H19ClNO2+ MolecularWeight: 304.79126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C17H19ClNO2/c1-3-13-5-4-12(2)19(8-13)9-14-6-16(18)7-15-10-20-11-21-17(14)15/h4-8H,3,9-11H2,1-2H3/q+1