ethyl 1-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H24N2O3/c1-3-24-19(23)14-8-10-21(11-9-14)13(2)18(22)16-12-20-17-7-5-4-6-15(16)17/h4-7,12-14,20H,3,8-11H2,1-2H3/p+1/t13-/m1/s1