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

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-[(2-methoxy-3-dibenzofuranyl)amino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC

InChI

InChI=1S/C24H28N2O5/c1-4-30-24(28)16-8-7-11-26(14-16)15(2)23(27)25-19-13-21-18(12-22(19)29-3)17-9-5-6-10-20(17)31-21/h5-6,9-10,12-13,15-16H,4,7-8,11,14H2,1-3H3,(H,25,27)/p+1/t15-,16-/m0/s1