(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: (5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: (5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid (5-phenoxy-1H-indol-2-yl)methyl ester IUPAC Name: (5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid (5-phenoxy-1H-indol-2-yl)methyl ester Formula: C22H19N2O3+ MolecularWeight: 359.39786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCC2=CC3=C(N2)C=CC(=C3)OC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCC2=CC3=C(N2)C=CC(=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H19N2O3/c1-24-11-5-6-16(14-24)22(25)26-15-18-12-17-13-20(9-10-21(17)23-18)27-19-7-3-2-4-8-19/h2-14,23H,15H2,1H3/q+1