methyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C[NH+]4CCC(CC4)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C[NH+]4CCC(CC4)C(=O)OC

InChI

InChI=1S/C22H24N2O5/c1-27-20-11-16-15-5-3-4-6-18(15)29-19(16)12-17(20)23-21(25)13-24-9-7-14(8-10-24)22(26)28-2/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,25)/p+1