ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H25N4O6+ MolecularWeight: 393.4143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H24N4O6/c1-2-26-18(25)22-7-5-21(6-8-22)12-16(23)20-17(24)19-13-3-4-14-15(11-13)28-10-9-27-14/h3-4,11H,2,5-10,12H2,1H3,(H2,19,20,23,24)/p+1