methyl 1-[2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(dibenzofuran-2-ylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-dibenzofuranylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(dibenzofuran-2-ylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(dibenzofuran-2-ylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O4/c1-26-21(25)14-8-10-23(11-9-14)13-20(24)22-15-6-7-19-17(12-15)16-4-2-3-5-18(16)27-19/h2-7,12,14H,8-11,13H2,1H3,(H,22,24)/p+1