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

Systemtic Name: ethyl (3S)-1-[(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H24N2O3/c1-3-24-19(23)14-7-6-10-21(12-14)13(2)18(22)16-11-20-17-9-5-4-8-15(16)17/h4-5,8-9,11,13-14,20H,3,6-7,10,12H2,1-2H3/p+1/t13-,14-/m0/s1