methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H22N2O5/c1-22-17(21)12-4-6-19(7-5-12)11-16(20)18-13-2-3-14-15(10-13)24-9-8-23-14/h2-3,10,12H,4-9,11H2,1H3,(H,18,20)/p+1