8-(azocan-1-ium-1-ylmethyl)-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-(azocan-1-ium-1-ylmethyl)-4H-1,3-benzodioxin-6-amine Openeye Name: 8-(azocan-1-ium-1-ylmethyl)-4H-1,3-benzodioxin-6-amine CAS Name: 8-(1-azocan-1-iumylmethyl)-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-(azocan-1-ium-1-ylmethyl)-4H-1,3-benzodioxin-6-amine Traditional Name: [8-(azocan-1-ium-1-ylmethyl)-4H-1,3-benzodioxin-6-yl]amine Formula: C16H25N2O2+ MolecularWeight: 277.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=C3C(=CC(=C2)N)COCO3

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=C3C(=CC(=C2)N)COCO3

InChI

InChI=1S/C16H24N2O2/c17-15-8-13(16-14(9-15)11-19-12-20-16)10-18-6-4-2-1-3-5-7-18/h8-9H,1-7,10-12,17H2/p+1