7-(5-phenylmethoxyindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 7-(5-phenylmethoxyindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 7-(5-benzyloxyindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 7-(5-phenylmethoxy-1-indolyl)heptyl ester IUPAC Name: 7-(5-phenylmethoxyindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 7-(5-benzoxyindol-1-yl)heptyl ester Formula: C29H33N2O3+ MolecularWeight: 457.58392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33N2O3/c1-30-17-10-13-26(22-30)29(32)33-20-9-4-2-3-8-18-31-19-16-25-21-27(14-15-28(25)31)34-23-24-11-6-5-7-12-24/h5-7,10-17,19,21-22H,2-4,8-9,18,20,23H2,1H3/q+1