8-(7-phenylmethoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(7-phenylmethoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(7-benzyloxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(7-phenylmethoxy-1-indolyl)octyl ester IUPAC Name: 8-(7-phenylmethoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(7-benzoxyindol-1-yl)octyl ester Formula: C30H35N2O3+ MolecularWeight: 471.6105

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