ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(2-morpholin-4-ium-4-ylethyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(2-morpholin-4-ium-4-ylethyl)amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(2-morpholin-4-ium-4-ylethyl)amino]-3-oxo-propanoate CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(4-morpholin-4-iumyl)ethyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(2-morpholin-4-ium-4-ylethyl)amino]-3-oxopropanoate Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(2-morpholin-4-ium-4-ylethyl)amino]-3-keto-propionic acid ethyl ester Formula: C20H29N2O6+ MolecularWeight: 393.45406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)CC(=O)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H28N2O6/c1-2-26-20(24)14-19(23)22(6-5-21-7-9-25-10-8-21)15-16-3-4-17-18(13-16)28-12-11-27-17/h3-4,13H,2,5-12,14-15H2,1H3/p+1