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

Systemtic Name: ethyl (3R)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(indan-5-ylamino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[3-(indan-5-ylamino)-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H28N2O3/c1-2-25-20(24)17-7-4-11-22(14-17)12-10-19(23)21-18-9-8-15-5-3-6-16(15)13-18/h8-9,13,17H,2-7,10-12,14H2,1H3,(H,21,23)/p+1/t17-/m1/s1