N-(7-butyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(7-butyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(7-butyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(7-butyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(7-butyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(7-butyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C19H29N2O3+ MolecularWeight: 333.44516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1NC(=O)C[NH+]3CCCCC3)OCCO2

Isomeric SMILES

CCCCC1=CC2=C(C=C1NC(=O)C[NH+]3CCCCC3)OCCO2

InChI

InChI=1S/C19H28N2O3/c1-2-3-7-15-12-17-18(24-11-10-23-17)13-16(15)20-19(22)14-21-8-5-4-6-9-21/h12-13H,2-11,14H2,1H3,(H,20,22)/p+1