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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)Cl)COCO3

InChI

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