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

Systemtic Name: ethyl (3S)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(2-methyl-1H-indol-3-yl)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)CC(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C19H24N2O3/c1-3-24-19(23)14-7-6-10-21(11-14)12-17(22)18-13(2)20-16-9-5-4-8-15(16)18/h4-5,8-9,14,20H,3,6-7,10-12H2,1-2H3/p+1/t14-/m0/s1