[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21N4O6+ MolecularWeight: 413.40394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O6/c25-17(23-20(27)22-13-5-6-15-16(10-13)30-12-29-15)11-28-19(26)14-4-3-7-21-18(14)24-8-1-2-9-24/h3-7,10H,1-2,8-9,11-12H2,(H2,22,23,25,27)/p+1