8-(5-phenylmethoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(5-phenylmethoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(5-benzyloxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(5-phenylmethoxy-1-indolyl)octyl ester IUPAC Name: 8-(5-phenylmethoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(5-benzoxyindol-1-yl)octyl ester Formula: C30H35N2O3+ MolecularWeight: 471.6105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C30H35N2O3/c1-31-18-11-14-27(23-31)30(33)34-21-10-5-3-2-4-9-19-32-20-17-26-22-28(15-16-29(26)32)35-24-25-12-7-6-8-13-25/h6-8,11-18,20,22-23H,2-5,9-10,19,21,24H2,1H3/q+1