1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-1-piperazin-4-iumyl)urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)urea Formula: C13H19N4O3+ MolecularWeight: 279.31496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H18N4O3/c1-16-4-6-17(7-5-16)15-13(18)14-10-2-3-11-12(8-10)20-9-19-11/h2-3,8H,4-7,9H2,1H3,(H2,14,15,18)/p+1