(phenylmethyl) 1-(1H-indol-3-ylmethyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-(1H-indol-3-ylmethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 1-(1H-indol-3-ylmethyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(1H-indol-3-ylmethyl)-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(1H-indol-3-ylmethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(1H-indol-3-ylmethyl)pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C21H23N2O2+ MolecularWeight: 335.41952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC[N+](C1)(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H23N2O2/c24-21(25-16-17-8-2-1-3-9-17)23(12-6-7-13-23)15-18-14-22-20-11-5-4-10-19(18)20/h1-5,8-11,14,22H,6-7,12-13,15-16H2/q+1