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

Systemtic Name: ethyl (3S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(indan-5-ylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(indan-5-ylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-2-24-19(23)16-7-4-10-21(12-16)13-18(22)20-17-9-8-14-5-3-6-15(14)11-17/h8-9,11,16H,2-7,10,12-13H2,1H3,(H,20,22)/p+1/t16-/m0/s1