ethyl (3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(1H-indol-3-ylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23N2O2+ MolecularWeight: 287.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H22N2O2/c1-2-21-17(20)13-6-5-9-19(11-13)12-14-10-18-16-8-4-3-7-15(14)16/h3-4,7-8,10,13,18H,2,5-6,9,11-12H2,1H3/p+1/t13-/m0/s1