methyl 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(indan-5-ylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(indan-5-ylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H24N2O3/c1-23-18(22)14-7-9-20(10-8-14)12-17(21)19-16-6-5-13-3-2-4-15(13)11-16/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,19,21)/p+1