1-(1,3-benzodioxol-5-yl)-3-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]urea Formula: C18H23N4O3+ MolecularWeight: 343.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H22N4O3/c1-3-22(4-2)17-13(6-5-9-19-17)11-20-18(23)21-14-7-8-15-16(10-14)25-12-24-15/h5-10H,3-4,11-12H2,1-2H3,(H2,20,21,23)/p+1