1-(1,3-benzodioxol-5-ylmethyl)-3-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)urea Traditional Name: 1-piperonyl-3-(6-pyrrolidinopyridin-1-ium-3-yl)urea Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O3/c23-18(20-10-13-3-5-15-16(9-13)25-12-24-15)21-14-4-6-17(19-11-14)22-7-1-2-8-22/h3-6,9,11H,1-2,7-8,10,12H2,(H2,20,21,23)/p+1