8-(5-phenylmethoxyindol-1-yl)octyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate

Systemtic Name: 8-(5-phenylmethoxyindol-1-yl)octyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate Openeye Name: 8-(5-benzyloxyindol-1-yl)octyl 2-(1-methylpyridin-1-ium-4-yl)acetate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid 8-(5-phenylmethoxy-1-indolyl)octyl ester IUPAC Name: 8-(5-phenylmethoxyindol-1-yl)octyl 2-(1-methylpyridin-1-ium-4-yl)acetate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid 8-(5-benzoxyindol-1-yl)octyl ester Formula: C31H37N2O3+ MolecularWeight: 485.63708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N2O3/c1-32-19-15-26(16-20-32)23-31(34)35-22-10-5-3-2-4-9-18-33-21-17-28-24-29(13-14-30(28)33)36-25-27-11-7-6-8-12-27/h6-8,11-17,19-21,24H,2-5,9-10,18,22-23,25H2,1H3/q+1