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

Systemtic Name: ethyl (3S)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H27N3O3/c1-2-26-20(25)16-6-5-11-23(13-16)14-19(24)21-10-9-15-12-22-18-8-4-3-7-17(15)18/h3-4,7-8,12,16,22H,2,5-6,9-11,13-14H2,1H3,(H,21,24)/p+1/t16-/m0/s1